3H-azepin-3-amine

C6H8N2 — CID 167246423

IUPAC3H-azepin-3-amine
SMILESNC1C=CC=CN=C1
InChIInChI=1S/C6H8N2/c7-6-3-1-2-4-8-5-6/h1-6H,7H2
InChIKeyGZSOCSYRHBUTNT-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.47
Rot. Bonds

About 3H-azepin-3-amine

3H-azepin-3-amine (PubChem CID 167246423) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3H-azepin-3-amine.

Molecular Properties

Compound Name3H-azepin-3-amine
PubChem CID167246423
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3H-azepin-3-amine
SMILESNC1C=CC=CN=C1
InChIInChI=1S/C6H8N2/c7-6-3-1-2-4-8-5-6/h1-6H,7H2
InChIKeyGZSOCSYRHBUTNT-UHFFFAOYSA-N
XLogP0.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3H-azepin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3H-azepin-7-yl)ethanamine
CID 54217416
3-(3H-azepin-7-yl)propan-1-amine
CID 90923129
3H-azepine-2,3-diamine
CID 91119379
3-Methylazepin-3-amine
CID 123242780
Azepin-3-imine
CID 123528648
(5Z)-2,7-dihydroazocine-5,6-diamine
CID 131972374
3H-azepine-4,5-diamine
CID 131972387
4H-azepine-4,6-diamine
CID 131972389
(7Z)-3,6-dihydroazocin-3-amine
CID 132021308
3,6-dihydro-2H-azepin-3-amine
CID 135243862
N-tert-butyl-3H-azepin-3-amine;molecular hydrogen
CID 141920638
7-methyl-3H-azepin-3-amine
CID 142031452

Frequently Asked Questions

What is the IUPAC name of 3H-azepin-3-amine?
The IUPAC name of 3H-azepin-3-amine (CID 167246423) is 3H-azepin-3-amine.
What is the SMILES notation for 3H-azepin-3-amine?
The canonical SMILES for 3H-azepin-3-amine is NC1C=CC=CN=C1.
What is the InChIKey of 3H-azepin-3-amine?
The InChIKey is GZSOCSYRHBUTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-6-3-1-2-4-8-5-6/h1-6H,7H2.
What are the key properties of 3H-azepin-3-amine?
3H-azepin-3-amine has a molecular weight of 108.14 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-azepin-3-amine is sourced from PubChem (CID 167246423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).