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

C7H15ClN2 — CID 12778912

IUPAC2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCC1CCCCC(N)=N1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-6-4-2-3-5-7(8)9-6;/h6H,2-5H2,1H3,(H2,8,9);1H
InChIKeyWYOJUVCSTWLLOY-UHFFFAOYSA-N
MW162.66 g/mol
LogP1.73
Rot. Bonds

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

2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (PubChem CID 12778912) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
PubChem CID12778912
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCC1CCCCC(N)=N1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-6-4-2-3-5-7(8)9-6;/h6H,2-5H2,1H3,(H2,8,9);1H
InChIKeyWYOJUVCSTWLLOY-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-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

Related Compounds

2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 12778911
5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride
CID 67761525
2-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 45259666
7-ethoxy-2-methyl-3,4,5,6-tetrahydro-2H-azepine
CID 45090927
2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 10799502
(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 10797080
(2R)-2-[(Z,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59924289
(2S)-2-[(E,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908785
acetylene;2-[(Z)-hex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 142113436
2-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 15406765
2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
CID 162367804
3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 45078881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The IUPAC name of 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (CID 12778912) is 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.
What is the SMILES notation for 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The canonical SMILES for 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is CC1CCCCC(N)=N1.Cl.
What is the InChIKey of 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The InChIKey is WYOJUVCSTWLLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-6-4-2-3-5-7(8)9-6;/h6H,2-5H2,1H3,(H2,8,9);1H.
What are the key properties of 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is sourced from PubChem (CID 12778912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).