10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine

C11H16N2 — CID 91242003

IUPAC10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
SMILESCC1CCC/C=N\C2=CCCN=C21
InChIInChI=1S/C11H16N2/c1-9-5-2-3-7-12-10-6-4-8-13-11(9)10/h6-7,9H,2-5,8H2,1H3/b12-7-
InChIKeyLVSFARKJFLVRMK-GHXNOFRVSA-N
MW176.26 g/mol
LogP2.61
Rot. Bonds

About 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine

10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine (PubChem CID 91242003) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine.

Molecular Properties

Compound Name10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
PubChem CID91242003
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
SMILESCC1CCC/C=N\C2=CCCN=C21
InChIInChI=1S/C11H16N2/c1-9-5-2-3-7-12-10-6-4-8-13-11(9)10/h6-7,9H,2-5,8H2,1H3/b12-7-
InChIKeyLVSFARKJFLVRMK-GHXNOFRVSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
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(8Z)-5-methyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine
CID 117650577
6-Ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
CID 123490439
6-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
CID 123650245
(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine
CID 123653923
(Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine
CID 135141009
N-[(Z)-4-butyloct-2-en-3-yl]ethanimine
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2-cyclohexyl-5-methyl-4H-azepine
CID 137504088
butane;(Z)-1-N-ethyl-3-N-methylidenehept-2-ene-1,3-diimine;4-methylheptane
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6-(3-Methylbutyl)-3,4-dihydropyridine
CID 142079078

Frequently Asked Questions

What is the IUPAC name of 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine?
The IUPAC name of 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine (CID 91242003) is 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine.
What is the SMILES notation for 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine?
The canonical SMILES for 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine is CC1CCC/C=N\C2=CCCN=C21.
What is the InChIKey of 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine?
The InChIKey is LVSFARKJFLVRMK-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-5-2-3-7-12-10-6-4-8-13-11(9)10/h6-7,9H,2-5,8H2,1H3/b12-7-.
What are the key properties of 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine?
10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine has a molecular weight of 176.26 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine is sourced from PubChem (CID 91242003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).