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

C7H9BrN2 — CID 143600569

IUPAC6-bromo-4-methyl-4H-azepin-2-amine
SMILESCC1C=C(Br)C=NC(N)=C1
InChIInChI=1S/C7H9BrN2/c1-5-2-6(8)4-10-7(9)3-5/h2-5H,9H2,1H3
InChIKeyRIBBLJNEKPPYHM-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.79
Rot. Bonds

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

6-bromo-4-methyl-4H-azepin-2-amine (PubChem CID 143600569) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 6-bromo-4-methyl-4H-azepin-2-amine.

Molecular Properties

Compound Name6-bromo-4-methyl-4H-azepin-2-amine
PubChem CID143600569
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name6-bromo-4-methyl-4H-azepin-2-amine
SMILESCC1C=C(Br)C=NC(N)=C1
InChIInChI=1S/C7H9BrN2/c1-5-2-6(8)4-10-7(9)3-5/h2-5H,9H2,1H3
InChIKeyRIBBLJNEKPPYHM-UHFFFAOYSA-N
XLogP1.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-3-methyl-2,3-dihydropyridin-2-amine
CID 123889753
6-bromo-4H-azepin-2-amine
CID 129084368
4-methyl-4H-azepin-2-amine
CID 142198657

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-4H-azepin-2-amine?
The IUPAC name of 6-bromo-4-methyl-4H-azepin-2-amine (CID 143600569) is 6-bromo-4-methyl-4H-azepin-2-amine.
What is the SMILES notation for 6-bromo-4-methyl-4H-azepin-2-amine?
The canonical SMILES for 6-bromo-4-methyl-4H-azepin-2-amine is CC1C=C(Br)C=NC(N)=C1.
What is the InChIKey of 6-bromo-4-methyl-4H-azepin-2-amine?
The InChIKey is RIBBLJNEKPPYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-5-2-6(8)4-10-7(9)3-5/h2-5H,9H2,1H3.
What are the key properties of 6-bromo-4-methyl-4H-azepin-2-amine?
6-bromo-4-methyl-4H-azepin-2-amine has a molecular weight of 201.07 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-4H-azepin-2-amine is sourced from PubChem (CID 143600569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).