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

C6H7BrN2 — CID 134187386

IUPAC4-bromo-2H-azepin-6-amine
SMILESNC1=CC(Br)=CCN=C1
InChIInChI=1S/C6H7BrN2/c7-5-1-2-9-4-6(8)3-5/h1,3-4H,2,8H2
InChIKeyILXFSYDAGKLFHF-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.19
Rot. Bonds

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

4-bromo-2H-azepin-6-amine (PubChem CID 134187386) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 4-bromo-2H-azepin-6-amine.

Molecular Properties

Compound Name4-bromo-2H-azepin-6-amine
PubChem CID134187386
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name4-bromo-2H-azepin-6-amine
SMILESNC1=CC(Br)=CCN=C1
InChIInChI=1S/C6H7BrN2/c7-5-1-2-9-4-6(8)3-5/h1,3-4H,2,8H2
InChIKeyILXFSYDAGKLFHF-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2H-azepin-6-amine?
The IUPAC name of 4-bromo-2H-azepin-6-amine (CID 134187386) is 4-bromo-2H-azepin-6-amine.
What is the SMILES notation for 4-bromo-2H-azepin-6-amine?
The canonical SMILES for 4-bromo-2H-azepin-6-amine is NC1=CC(Br)=CCN=C1.
What is the InChIKey of 4-bromo-2H-azepin-6-amine?
The InChIKey is ILXFSYDAGKLFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-5-1-2-9-4-6(8)3-5/h1,3-4H,2,8H2.
What are the key properties of 4-bromo-2H-azepin-6-amine?
4-bromo-2H-azepin-6-amine has a molecular weight of 187.04 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2H-azepin-6-amine is sourced from PubChem (CID 134187386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).