1H-azepin-2-amine;hydrobromide

C6H9BrN2 — CID 23087815

IUPAC1H-azepin-2-amine;hydrobromide
SMILESBr.NC1=CC=CC=CN1
InChIInChI=1S/C6H8N2.BrH/c7-6-4-2-1-3-5-8-6;/h1-5,8H,7H2;1H
InChIKeyQURDTTJSJWXTBK-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.04
Rot. Bonds

About 1H-azepin-2-amine;hydrobromide

1H-azepin-2-amine;hydrobromide (PubChem CID 23087815) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 1H-azepin-2-amine;hydrobromide.

Molecular Properties

Compound Name1H-azepin-2-amine;hydrobromide
PubChem CID23087815
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name1H-azepin-2-amine;hydrobromide
SMILESBr.NC1=CC=CC=CN1
InChIInChI=1S/C6H8N2.BrH/c7-6-4-2-1-3-5-8-6;/h1-5,8H,7H2;1H
InChIKeyQURDTTJSJWXTBK-UHFFFAOYSA-N
XLogP1.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-azepin-2-amine;hydrobromide?
The IUPAC name of 1H-azepin-2-amine;hydrobromide (CID 23087815) is 1H-azepin-2-amine;hydrobromide.
What is the SMILES notation for 1H-azepin-2-amine;hydrobromide?
The canonical SMILES for 1H-azepin-2-amine;hydrobromide is Br.NC1=CC=CC=CN1.
What is the InChIKey of 1H-azepin-2-amine;hydrobromide?
The InChIKey is QURDTTJSJWXTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.BrH/c7-6-4-2-1-3-5-8-6;/h1-5,8H,7H2;1H.
What are the key properties of 1H-azepin-2-amine;hydrobromide?
1H-azepin-2-amine;hydrobromide has a molecular weight of 189.06 g/mol, XLogP of 1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-2-amine;hydrobromide is sourced from PubChem (CID 23087815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).