7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide

C7H10Br2N2 — CID 134892167

IUPAC7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide
SMILESBr.CC1=CCC(N)=NC(Br)=C1
InChIInChI=1S/C7H9BrN2.BrH/c1-5-2-3-7(9)10-6(8)4-5;/h2,4H,3H2,1H3,(H2,9,10);1H
InChIKeyGCGSMNCIDHKIRL-UHFFFAOYSA-N
MW281.98 g/mol
LogP2.51
Rot. Bonds

About 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide

7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide (PubChem CID 134892167) has the molecular formula C7H10Br2N2 and a molecular weight of 281.98 g/mol. Its IUPAC name is 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide.

Molecular Properties

Compound Name7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide
PubChem CID134892167
Molecular FormulaC7H10Br2N2
Molecular Weight281.98 g/mol
Exact Mass279.92
IUPAC Name7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide
SMILESBr.CC1=CCC(N)=NC(Br)=C1
InChIInChI=1S/C7H9BrN2.BrH/c1-5-2-3-7(9)10-6(8)4-5;/h2,4H,3H2,1H3,(H2,9,10);1H
InChIKeyGCGSMNCIDHKIRL-UHFFFAOYSA-N
XLogP2.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.98
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

7-bromo-5-methyl-3H-azepin-2-amine
CID 85624999
7-bromo-3H-azepin-2-amine;hydrobromide
CID 134915559
7-bromo-3H-azepin-2-amine
CID 134915560

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide?
The IUPAC name of 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide (CID 134892167) is 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide.
What is the SMILES notation for 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide?
The canonical SMILES for 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide is Br.CC1=CCC(N)=NC(Br)=C1.
What is the InChIKey of 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide?
The InChIKey is GCGSMNCIDHKIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2.BrH/c1-5-2-3-7(9)10-6(8)4-5;/h2,4H,3H2,1H3,(H2,9,10);1H.
What are the key properties of 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide?
7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide has a molecular weight of 281.98 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-3H-azepin-2-amine;hydrobromide is sourced from PubChem (CID 134892167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).