2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine

C15H22N2 — CID 63181790

IUPAC2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine
SMILES[H]/N=C(/N1CCCc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C15H22N2/c1-15(2,3)14(16)17-10-6-9-12-7-4-5-8-13(12)11-17/h4-5,7-8,16H,6,9-11H2,1-3H3/b16-14+
InChIKeyHDXNOXXAFDPHBG-JQIJEIRASA-N
MW230.36 g/mol
LogP3.46
Rot. Bonds

About 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine

2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine (PubChem CID 63181790) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine
PubChem CID63181790
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine
SMILES[H]/N=C(/N1CCCc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C15H22N2/c1-15(2,3)14(16)17-10-6-9-12-7-4-5-8-13(12)11-17/h4-5,7-8,16H,6,9-11H2,1-3H3/b16-14+
InChIKeyHDXNOXXAFDPHBG-JQIJEIRASA-N
XLogP3.46
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine 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 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine (CID 63181790) is 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine is [H]/N=C(/N1CCCc2ccccc2C1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine?
The InChIKey is HDXNOXXAFDPHBG-JQIJEIRASA-N. The full InChI is InChI=1S/C15H22N2/c1-15(2,3)14(16)17-10-6-9-12-7-4-5-8-13(12)11-17/h4-5,7-8,16H,6,9-11H2,1-3H3/b16-14+.
What are the key properties of 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine?
2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine has a molecular weight of 230.36 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine is sourced from PubChem (CID 63181790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).