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

C14H28N2 — CID 129287118

IUPAC7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine
SMILESCC(C)(C)CC1CCC2CCCNC2CN1
InChIInChI=1S/C14H28N2/c1-14(2,3)9-12-7-6-11-5-4-8-15-13(11)10-16-12/h11-13,15-16H,4-10H2,1-3H3
InChIKeyFXMGVGLLZFRPFW-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.54
Rot. Bonds1

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

7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine (PubChem CID 129287118) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine
PubChem CID129287118
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine
SMILESCC(C)(C)CC1CCC2CCCNC2CN1
InChIInChI=1S/C14H28N2/c1-14(2,3)9-12-7-6-11-5-4-8-15-13(11)10-16-12/h11-13,15-16H,4-10H2,1-3H3
InChIKeyFXMGVGLLZFRPFW-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(2,2-dimethylpropyl)-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 7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine?
The IUPAC name of 7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine (CID 129287118) is 7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine is CC(C)(C)CC1CCC2CCCNC2CN1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine?
The InChIKey is FXMGVGLLZFRPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2,3)9-12-7-6-11-5-4-8-15-13(11)10-16-12/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine?
7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine has a molecular weight of 224.39 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[2,3-c]azepine is sourced from PubChem (CID 129287118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).