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

C7H15ClN2 — CID 45259654

IUPAC4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCC1CCN=C(N)CC1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-6-2-3-7(8)9-5-4-6;/h6H,2-5H2,1H3,(H2,8,9);1H
InChIKeyMPUMTNHNSVOBJS-UHFFFAOYSA-N
MW162.66 g/mol
LogP1.59
Rot. Bonds

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

4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (PubChem CID 45259654) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
PubChem CID45259654
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCC1CCN=C(N)CC1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-6-2-3-7(8)9-5-4-6;/h6H,2-5H2,1H3,(H2,8,9);1H
InChIKeyMPUMTNHNSVOBJS-UHFFFAOYSA-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 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride with MolForge

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Related Compounds

4-tert-butyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 131721006
4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 131721014
(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 10797080
2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
CID 162367804
2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride
CID 22617759
6-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 89188885
4-methylcyclohexan-1-(18O)one
CID 101386186
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12778912
[(2R)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]methanol;hydrochloride
CID 22872569
(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 172703421
1-(4-ethoxyphenyl)-2-(N-(4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino)ethanone;hydrobromide
CID 45135597
4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 146674793

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The IUPAC name of 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (CID 45259654) is 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.
What is the SMILES notation for 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The canonical SMILES for 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is CC1CCN=C(N)CC1.Cl.
What is the InChIKey of 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The InChIKey is MPUMTNHNSVOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-6-2-3-7(8)9-5-4-6;/h6H,2-5H2,1H3,(H2,8,9);1H.
What are the key properties of 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
4-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 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is sourced from PubChem (CID 45259654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).