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

C11H16N2 — CID 123638289

IUPAC(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine
SMILESCC1CC/C=N\C=C2\CCCN=C21
InChIInChI=1S/C11H16N2/c1-9-4-2-6-12-8-10-5-3-7-13-11(9)10/h6,8-9H,2-5,7H2,1H3/b10-8-,12-6-
InChIKeyDDYPCJPDSWTEIE-WVCHALLQSA-N
MW176.26 g/mol
LogP2.61
Rot. Bonds

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

(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine (PubChem CID 123638289) 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-c]azocine.

Molecular Properties

Compound Name(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine
PubChem CID123638289
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine
SMILESCC1CC/C=N\C=C2\CCCN=C21
InChIInChI=1S/C11H16N2/c1-9-4-2-6-12-8-10-5-3-7-13-11(9)10/h6,8-9H,2-5,7H2,1H3/b10-8-,12-6-
InChIKeyDDYPCJPDSWTEIE-WVCHALLQSA-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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Frequently Asked Questions

What is the IUPAC name of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine?
The IUPAC name of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine (CID 123638289) is (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine.
What is the SMILES notation for (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine?
The canonical SMILES for (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine is CC1CC/C=N\C=C2\CCCN=C21.
What is the InChIKey of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine?
The InChIKey is DDYPCJPDSWTEIE-WVCHALLQSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-4-2-6-12-8-10-5-3-7-13-11(9)10/h6,8-9H,2-5,7H2,1H3/b10-8-,12-6-.
What are the key properties of (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine?
(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]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 (4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-c]azocine is sourced from PubChem (CID 123638289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).