(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine

C11H16N2 — CID 123653923

IUPAC(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine
SMILESCC1CC/N=C\C=C2\CCCN=C21
InChIInChI=1S/C11H16N2/c1-9-4-7-12-8-5-10-3-2-6-13-11(9)10/h5,8-9H,2-4,6-7H2,1H3/b10-5-,12-8-
InChIKeySTKJAIWVOFFYDP-HFHLANHYSA-N
MW176.26 g/mol
LogP2.26
Rot. Bonds

About (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine

(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine (PubChem CID 123653923) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine.

Molecular Properties

Compound Name(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine
PubChem CID123653923
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine
SMILESCC1CC/N=C\C=C2\CCCN=C21
InChIInChI=1S/C11H16N2/c1-9-4-7-12-8-5-10-3-2-6-13-11(9)10/h5,8-9H,2-4,6-7H2,1H3/b10-5-,12-8-
InChIKeySTKJAIWVOFFYDP-HFHLANHYSA-N
XLogP2.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 102519273
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CID 135034300
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57053520
8,15-Diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57273726
3-Cyclooctyl-2,5-dihydropyridine
CID 57316002
5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545

Frequently Asked Questions

What is the IUPAC name of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine?
The IUPAC name of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine (CID 123653923) is (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine.
What is the SMILES notation for (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine?
The canonical SMILES for (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine is CC1CC/N=C\C=C2\CCCN=C21.
What is the InChIKey of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine?
The InChIKey is STKJAIWVOFFYDP-HFHLANHYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-4-7-12-8-5-10-3-2-6-13-11(9)10/h5,8-9H,2-4,6-7H2,1H3/b10-5-,12-8-.
What are the key properties of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine?
(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine has a molecular weight of 176.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine is sourced from PubChem (CID 123653923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).