6-bromo-4H-azepin-2-amine

C6H7BrN2 — CID 129084368

IUPAC6-bromo-4H-azepin-2-amine
SMILESNC1=CCC=C(Br)C=N1
InChIInChI=1S/C6H7BrN2/c7-5-2-1-3-6(8)9-4-5/h2-4H,1,8H2
InChIKeyINWPMXDPYOLWTH-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.54
Rot. Bonds

About 6-bromo-4H-azepin-2-amine

6-bromo-4H-azepin-2-amine (PubChem CID 129084368) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 6-bromo-4H-azepin-2-amine.

Molecular Properties

Compound Name6-bromo-4H-azepin-2-amine
PubChem CID129084368
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name6-bromo-4H-azepin-2-amine
SMILESNC1=CCC=C(Br)C=N1
InChIInChI=1S/C6H7BrN2/c7-5-2-1-3-6(8)9-4-5/h2-4H,1,8H2
InChIKeyINWPMXDPYOLWTH-UHFFFAOYSA-N
XLogP1.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2,3-dihydropyridin-2-amine
CID 89688809
6-bromo-4-methyl-4H-azepin-2-amine
CID 143600569
6-bromo-4H-azepine
CID 155180597

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4H-azepin-2-amine?
The IUPAC name of 6-bromo-4H-azepin-2-amine (CID 129084368) is 6-bromo-4H-azepin-2-amine.
What is the SMILES notation for 6-bromo-4H-azepin-2-amine?
The canonical SMILES for 6-bromo-4H-azepin-2-amine is NC1=CCC=C(Br)C=N1.
What is the InChIKey of 6-bromo-4H-azepin-2-amine?
The InChIKey is INWPMXDPYOLWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-5-2-1-3-6(8)9-4-5/h2-4H,1,8H2.
What are the key properties of 6-bromo-4H-azepin-2-amine?
6-bromo-4H-azepin-2-amine has a molecular weight of 187.04 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4H-azepin-2-amine is sourced from PubChem (CID 129084368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).