[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine

C15H22N2 — CID 79521524

IUPAC[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
SMILESNCC1(N2CCc3ccccc3CC2)CCC1
InChIInChI=1S/C15H22N2/c16-12-15(8-3-9-15)17-10-6-13-4-1-2-5-14(13)7-11-17/h1-2,4-5H,3,6-12,16H2
InChIKeyDZKJQMQHBBDEGI-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.97
Rot. Bonds2

About [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine

[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine (PubChem CID 79521524) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
PubChem CID79521524
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
SMILESNCC1(N2CCc3ccccc3CC2)CCC1
InChIInChI=1S/C15H22N2/c16-12-15(8-3-9-15)17-10-6-13-4-1-2-5-14(13)7-11-17/h1-2,4-5H,3,6-12,16H2
InChIKeyDZKJQMQHBBDEGI-UHFFFAOYSA-N
XLogP1.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine 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 [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine (CID 79521524) is [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine is NCC1(N2CCc3ccccc3CC2)CCC1.
What is the InChIKey of [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine?
The InChIKey is DZKJQMQHBBDEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-12-15(8-3-9-15)17-10-6-13-4-1-2-5-14(13)7-11-17/h1-2,4-5H,3,6-12,16H2.
What are the key properties of [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine?
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine has a molecular weight of 230.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 79521524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).