1H-azepin-3-amine

C6H8N2 — CID 18755303

IUPAC1H-azepin-3-amine
SMILESNC1=CNC=CC=C1
InChIInChI=1S/C6H8N2/c7-6-3-1-2-4-8-5-6/h1-5,8H,7H2
InChIKeyNBSHZANYCZHZIS-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.46
Rot. Bonds

About 1H-azepin-3-amine

1H-azepin-3-amine (PubChem CID 18755303) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1H-azepin-3-amine.

Molecular Properties

Compound Name1H-azepin-3-amine
PubChem CID18755303
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1H-azepin-3-amine
SMILESNC1=CNC=CC=C1
InChIInChI=1S/C6H8N2/c7-6-3-1-2-4-8-5-6/h1-5,8H,7H2
InChIKeyNBSHZANYCZHZIS-UHFFFAOYSA-N
XLogP0.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-azepin-3-amine?
The IUPAC name of 1H-azepin-3-amine (CID 18755303) is 1H-azepin-3-amine.
What is the SMILES notation for 1H-azepin-3-amine?
The canonical SMILES for 1H-azepin-3-amine is NC1=CNC=CC=C1.
What is the InChIKey of 1H-azepin-3-amine?
The InChIKey is NBSHZANYCZHZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-6-3-1-2-4-8-5-6/h1-5,8H,7H2.
What are the key properties of 1H-azepin-3-amine?
1H-azepin-3-amine has a molecular weight of 108.14 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-3-amine is sourced from PubChem (CID 18755303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).