3,6-dihydro-2H-azepin-3-amine

C6H10N2 — CID 135243862

IUPAC3,6-dihydro-2H-azepin-3-amine
SMILESNC1C=CCC=NC1
InChIInChI=1S/C6H10N2/c7-6-3-1-2-4-8-5-6/h1,3-4,6H,2,5,7H2
InChIKeyMDXTYANDDBKSOU-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.34
Rot. Bonds

About 3,6-dihydro-2H-azepin-3-amine

3,6-dihydro-2H-azepin-3-amine (PubChem CID 135243862) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,6-dihydro-2H-azepin-3-amine.

Molecular Properties

Compound Name3,6-dihydro-2H-azepin-3-amine
PubChem CID135243862
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,6-dihydro-2H-azepin-3-amine
SMILESNC1C=CCC=NC1
InChIInChI=1S/C6H10N2/c7-6-3-1-2-4-8-5-6/h1,3-4,6H,2,5,7H2
InChIKeyMDXTYANDDBKSOU-UHFFFAOYSA-N
XLogP0.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-2H-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

2,3-Dihydropyridin-3-amine
CID 57288527
2-Methyl-2,3-dihydropyridin-3-amine
CID 89039076
5-Iminopent-2-en-1-amine
CID 123203625
6-Methyliminohex-2-en-1-amine
CID 123732613
(7Z)-3,6-dihydroazocin-3-amine
CID 132021308
3,4-dihydro-2H-azepin-3-amine
CID 135243851
6-Iminohex-3-en-2-amine
CID 138659587
2H-pyrrol-2-ylmethanamine
CID 140269713
7-methyl-3H-azepin-3-amine
CID 142031452
4H-azepin-4-amine
CID 142136361
(3-Amino-2,3-dihydropyridin-2-yl)-methylidyneazanium
CID 142972757
[(Z)-2-amino-1-iminohex-4-en-3-yl]azanide
CID 145692929

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-azepin-3-amine?
The IUPAC name of 3,6-dihydro-2H-azepin-3-amine (CID 135243862) is 3,6-dihydro-2H-azepin-3-amine.
What is the SMILES notation for 3,6-dihydro-2H-azepin-3-amine?
The canonical SMILES for 3,6-dihydro-2H-azepin-3-amine is NC1C=CCC=NC1.
What is the InChIKey of 3,6-dihydro-2H-azepin-3-amine?
The InChIKey is MDXTYANDDBKSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-6-3-1-2-4-8-5-6/h1,3-4,6H,2,5,7H2.
What are the key properties of 3,6-dihydro-2H-azepin-3-amine?
3,6-dihydro-2H-azepin-3-amine has a molecular weight of 110.16 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-azepin-3-amine is sourced from PubChem (CID 135243862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).