4H-azepin-4-amine

C6H8N2 — CID 142136361

IUPAC4H-azepin-4-amine
SMILESNC1C=CC=NC=C1
InChIInChI=1S/C6H8N2/c7-6-2-1-4-8-5-3-6/h1-6H,7H2
InChIKeyBYWRPQLJCHBYGA-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.47
Rot. Bonds

About 4H-azepin-4-amine

4H-azepin-4-amine (PubChem CID 142136361) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 4H-azepin-4-amine.

Molecular Properties

Compound Name4H-azepin-4-amine
PubChem CID142136361
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name4H-azepin-4-amine
SMILESNC1C=CC=NC=C1
InChIInChI=1S/C6H8N2/c7-6-2-1-4-8-5-3-6/h1-6H,7H2
InChIKeyBYWRPQLJCHBYGA-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

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Frequently Asked Questions

What is the IUPAC name of 4H-azepin-4-amine?
The IUPAC name of 4H-azepin-4-amine (CID 142136361) is 4H-azepin-4-amine.
What is the SMILES notation for 4H-azepin-4-amine?
The canonical SMILES for 4H-azepin-4-amine is NC1C=CC=NC=C1.
What is the InChIKey of 4H-azepin-4-amine?
The InChIKey is BYWRPQLJCHBYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-6-2-1-4-8-5-3-6/h1-6H,7H2.
What are the key properties of 4H-azepin-4-amine?
4H-azepin-4-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 4H-azepin-4-amine is sourced from PubChem (CID 142136361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).