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

C8H17ClN2 — CID 131721014

IUPAC4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCC1CCN=C(N)CC1C.Cl
InChIInChI=1S/C8H16N2.ClH/c1-6-3-4-10-8(9)5-7(6)2;/h6-7H,3-5H2,1-2H3,(H2,9,10);1H
InChIKeyYIZUYKCWXAJXFX-UHFFFAOYSA-N
MW176.69 g/mol
LogP1.83
Rot. Bonds

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

4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (PubChem CID 131721014) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.

Molecular Properties

Compound Name4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
PubChem CID131721014
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCC1CCN=C(N)CC1C.Cl
InChIInChI=1S/C8H16N2.ClH/c1-6-3-4-10-8(9)5-7(6)2;/h6-7H,3-5H2,1-2H3,(H2,9,10);1H
InChIKeyYIZUYKCWXAJXFX-UHFFFAOYSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 45259654
(3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
CID 67761987
4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 146674793
(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine
CID 11240701
4-tert-butyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 131721006
(4S,4aS,7aS)-4-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-amine
CID 10034809
(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
CID 10877110
6-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 89188885
5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine
CID 143378600
[(3S,4R)-6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl] acetate
CID 45091098
2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
CID 162367804
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The IUPAC name of 4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (CID 131721014) is 4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.
What is the SMILES notation for 4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The canonical SMILES for 4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is CC1CCN=C(N)CC1C.Cl.
What is the InChIKey of 4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The InChIKey is YIZUYKCWXAJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.ClH/c1-6-3-4-10-8(9)5-7(6)2;/h6-7H,3-5H2,1-2H3,(H2,9,10);1H.
What are the key properties of 4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride has a molecular weight of 176.69 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is sourced from PubChem (CID 131721014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).