Chemical Properties of 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-4-(2-propenyl)-, [1S-(1«alpha»,4«alpha»,5«alpha»,11a«alpha»)]- (CAS 550-43-6)

InChI

InChI=1S/C14H22N2O/c1-2-4-12-11-7-10(8-15-12)13-5-3-6-14(17)16(13)9-11/h2,10-13,15H,1,3-9H2

InChI Key

VTIPIBIDDZPDAV-UHFFFAOYSA-N

Formula

C14H22N2O

SMILES

C=CCC1NCC2CC1CN1C(=O)CCCC21

Molecular Weight¹

234.34

CAS

550-43-6

Other Names

• Angustifoline
• Jamaicensine

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.50		Crippen Calculated Property
logPoct/wat	1.551		Crippen Calculated Property
McVol	192.770	ml/mol	McGowan Calculated Property
Inp	[2079.00; 2104.00]
Inp	2079.00		NIST
Inp	Outlier 2104.00		NIST
Inp	2080.00		NIST
Inp	2083.00		NIST
Inp	2085.00		NIST
Inp	2083.00		NIST
Inp	2085.00		NIST
Inp	2080.00		NIST
Inp	2083.00		NIST
Inp	2083.00		NIST
Inp	2085.00		NIST
Inp	2079.00		NIST
Inp	2083.00		NIST

Similar Compounds

Find more compounds similar to 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-4-(2-propenyl)-, [1S-(1«alpha»,4«alpha»,5«alpha»,11a«alpha»)]-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.