3H-azepin-2-amine;dihydrobromide

C6H10Br2N2 — CID 162691468

IUPAC3H-azepin-2-amine;dihydrobromide
SMILESBr.Br.NC1=NC=CC=CC1
InChIInChI=1S/C6H8N2.2BrH/c7-6-4-2-1-3-5-8-6;;/h1-3,5H,4H2,(H2,7,8);2*1H
InChIKeyMHNZCUISTBSVHI-UHFFFAOYSA-N
MW269.97 g/mol
LogP1.97
Rot. Bonds

About 3H-azepin-2-amine;dihydrobromide

3H-azepin-2-amine;dihydrobromide (PubChem CID 162691468) has the molecular formula C6H10Br2N2 and a molecular weight of 269.97 g/mol. Its IUPAC name is 3H-azepin-2-amine;dihydrobromide.

Molecular Properties

Compound Name3H-azepin-2-amine;dihydrobromide
PubChem CID162691468
Molecular FormulaC6H10Br2N2
Molecular Weight269.97 g/mol
Exact Mass267.92
IUPAC Name3H-azepin-2-amine;dihydrobromide
SMILESBr.Br.NC1=NC=CC=CC1
InChIInChI=1S/C6H8N2.2BrH/c7-6-4-2-1-3-5-8-6;;/h1-3,5H,4H2,(H2,7,8);2*1H
InChIKeyMHNZCUISTBSVHI-UHFFFAOYSA-N
XLogP1.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.97
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-Azepin-2-amine
CID 12372783
4H-azepin-7-amine
CID 54474925
7-bromo-3H-azepin-2-amine;hydrobromide
CID 134915559
3H-azepine-2,3-diamine
CID 91119379
3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine
CID 118946201
6-methyl-3H-azepin-2-amine
CID 141911293
3H-azepine-2,4-diamine
CID 154161880
CID 159504394
CID 159504394
CID 159640719
CID 159640719
3H-azepin-2-amine;hydrochloride
CID 160338141
7-bromo-3H-azepin-2-amine
CID 134915560

Frequently Asked Questions

What is the IUPAC name of 3H-azepin-2-amine;dihydrobromide?
The IUPAC name of 3H-azepin-2-amine;dihydrobromide (CID 162691468) is 3H-azepin-2-amine;dihydrobromide.
What is the SMILES notation for 3H-azepin-2-amine;dihydrobromide?
The canonical SMILES for 3H-azepin-2-amine;dihydrobromide is Br.Br.NC1=NC=CC=CC1.
What is the InChIKey of 3H-azepin-2-amine;dihydrobromide?
The InChIKey is MHNZCUISTBSVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.2BrH/c7-6-4-2-1-3-5-8-6;;/h1-3,5H,4H2,(H2,7,8);2*1H.
What are the key properties of 3H-azepin-2-amine;dihydrobromide?
3H-azepin-2-amine;dihydrobromide has a molecular weight of 269.97 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-azepin-2-amine;dihydrobromide is sourced from PubChem (CID 162691468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).