9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

C13H20N2 — CID 69227915

IUPAC9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESCC1=CN=CCC2=C1NC(C(C)C)CC2
InChIInChI=1S/C13H20N2/c1-9(2)12-5-4-11-6-7-14-8-10(3)13(11)15-12/h7-9,12,15H,4-6H2,1-3H3
InChIKeyKXFFCXVNMWDEOQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.03
Rot. Bonds1

About 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (PubChem CID 69227915) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
PubChem CID69227915
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESCC1=CN=CCC2=C1NC(C(C)C)CC2
InChIInChI=1S/C13H20N2/c1-9(2)12-5-4-11-6-7-14-8-10(3)13(11)15-12/h7-9,12,15H,4-6H2,1-3H3
InChIKeyKXFFCXVNMWDEOQ-UHFFFAOYSA-N
XLogP3.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]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 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The IUPAC name of 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (CID 69227915) is 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.
What is the SMILES notation for 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The canonical SMILES for 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is CC1=CN=CCC2=C1NC(C(C)C)CC2.
What is the InChIKey of 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The InChIKey is KXFFCXVNMWDEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)12-5-4-11-6-7-14-8-10(3)13(11)15-12/h7-9,12,15H,4-6H2,1-3H3.
What are the key properties of 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine has a molecular weight of 204.32 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is sourced from PubChem (CID 69227915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).