2H-2-benzazepin-3-amine

C10H10N2 — CID 56975039

IUPAC2H-2-benzazepin-3-amine
SMILESNC1=CC=c2ccccc2=CN1
InChIInChI=1S/C10H10N2/c11-10-6-5-8-3-1-2-4-9(8)7-12-10/h1-7,12H,11H2
InChIKeyVJSJXTHOCMMIRF-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.39
Rot. Bonds

About 2H-2-benzazepin-3-amine

2H-2-benzazepin-3-amine (PubChem CID 56975039) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2H-2-benzazepin-3-amine.

Molecular Properties

Compound Name2H-2-benzazepin-3-amine
PubChem CID56975039
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2H-2-benzazepin-3-amine
SMILESNC1=CC=c2ccccc2=CN1
InChIInChI=1S/C10H10N2/c11-10-6-5-8-3-1-2-4-9(8)7-12-10/h1-7,12H,11H2
InChIKeyVJSJXTHOCMMIRF-UHFFFAOYSA-N
XLogP-0.39
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 ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-2-benzazepin-3-amine?
The IUPAC name of 2H-2-benzazepin-3-amine (CID 56975039) is 2H-2-benzazepin-3-amine.
What is the SMILES notation for 2H-2-benzazepin-3-amine?
The canonical SMILES for 2H-2-benzazepin-3-amine is NC1=CC=c2ccccc2=CN1.
What is the InChIKey of 2H-2-benzazepin-3-amine?
The InChIKey is VJSJXTHOCMMIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-10-6-5-8-3-1-2-4-9(8)7-12-10/h1-7,12H,11H2.
What are the key properties of 2H-2-benzazepin-3-amine?
2H-2-benzazepin-3-amine has a molecular weight of 158.20 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-2-benzazepin-3-amine is sourced from PubChem (CID 56975039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).