1H-1-benzazepin-3-amine

C10H10N2 — CID 57309467

IUPAC1H-1-benzazepin-3-amine
SMILESNC1=CNc2ccccc2C=C1
InChIInChI=1S/C10H10N2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-7,12H,11H2
InChIKeyQGMJAFFAUDWYKP-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.93
Rot. Bonds

About 1H-1-benzazepin-3-amine

1H-1-benzazepin-3-amine (PubChem CID 57309467) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1H-1-benzazepin-3-amine.

Molecular Properties

Compound Name1H-1-benzazepin-3-amine
PubChem CID57309467
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1H-1-benzazepin-3-amine
SMILESNC1=CNc2ccccc2C=C1
InChIInChI=1S/C10H10N2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-7,12H,11H2
InChIKeyQGMJAFFAUDWYKP-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-1-benzazepin-3-amine?
The IUPAC name of 1H-1-benzazepin-3-amine (CID 57309467) is 1H-1-benzazepin-3-amine.
What is the SMILES notation for 1H-1-benzazepin-3-amine?
The canonical SMILES for 1H-1-benzazepin-3-amine is NC1=CNc2ccccc2C=C1.
What is the InChIKey of 1H-1-benzazepin-3-amine?
The InChIKey is QGMJAFFAUDWYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-7,12H,11H2.
What are the key properties of 1H-1-benzazepin-3-amine?
1H-1-benzazepin-3-amine has a molecular weight of 158.20 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1-benzazepin-3-amine is sourced from PubChem (CID 57309467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).