(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride

C7H15ClN2 — CID 45259665

IUPAC(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESC[C@@H]1CCCC(N)=NC1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-6-3-2-4-7(8)9-5-6;/h6H,2-5H2,1H3,(H2,8,9);1H/t6-;/m1./s1
InChIKeyMCQGDMHXQSVJCT-FYZOBXCZSA-N
MW162.66 g/mol
LogP1.59
Rot. Bonds

About (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride

(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (PubChem CID 45259665) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
PubChem CID45259665
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESC[C@@H]1CCCC(N)=NC1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-6-3-2-4-7(8)9-5-6;/h6H,2-5H2,1H3,(H2,8,9);1H/t6-;/m1./s1
InChIKeyMCQGDMHXQSVJCT-FYZOBXCZSA-N
XLogP1.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The IUPAC name of (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (CID 45259665) is (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.
What is the SMILES notation for (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The canonical SMILES for (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is C[C@@H]1CCCC(N)=NC1.Cl.
What is the InChIKey of (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The InChIKey is MCQGDMHXQSVJCT-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-6-3-2-4-7(8)9-5-6;/h6H,2-5H2,1H3,(H2,8,9);1H/t6-;/m1./s1.
What are the key properties of (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is sourced from PubChem (CID 45259665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).