6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine

C10H20N2 — CID 144764577

IUPAC6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine
SMILESCC1CNCC2NCCCC2C1
InChIInChI=1S/C10H20N2/c1-8-5-9-3-2-4-12-10(9)7-11-6-8/h8-12H,2-7H2,1H3
InChIKeyDHCOZLIIDKLMAZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.98
Rot. Bonds

About 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine

6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine (PubChem CID 144764577) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine.

Molecular Properties

Compound Name6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine
PubChem CID144764577
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine
SMILESCC1CNCC2NCCCC2C1
InChIInChI=1S/C10H20N2/c1-8-5-9-3-2-4-12-10(9)7-11-6-8/h8-12H,2-7H2,1H3
InChIKeyDHCOZLIIDKLMAZ-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine?
The IUPAC name of 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine (CID 144764577) is 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine.
What is the SMILES notation for 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine?
The canonical SMILES for 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine is CC1CNCC2NCCCC2C1.
What is the InChIKey of 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine?
The InChIKey is DHCOZLIIDKLMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-5-9-3-2-4-12-10(9)7-11-6-8/h8-12H,2-7H2,1H3.
What are the key properties of 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine?
6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine has a molecular weight of 168.28 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine is sourced from PubChem (CID 144764577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).