1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride

C11H19ClN2 — CID 86757258

IUPAC1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCC1C2=CC(N)=CCC2CCN1C.Cl
InChIInChI=1S/C11H18N2.ClH/c1-8-11-7-10(12)4-3-9(11)5-6-13(8)2;/h4,7-9H,3,5-6,12H2,1-2H3;1H
InChIKeyZZEWZYQBIWJDOC-UHFFFAOYSA-N
MW214.74 g/mol
LogP1.92
Rot. Bonds

About 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride

1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride (PubChem CID 86757258) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride.

Molecular Properties

Compound Name1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride
PubChem CID86757258
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCC1C2=CC(N)=CCC2CCN1C.Cl
InChIInChI=1S/C11H18N2.ClH/c1-8-11-7-10(12)4-3-9(11)5-6-13(8)2;/h4,7-9H,3,5-6,12H2,1-2H3;1H
InChIKeyZZEWZYQBIWJDOC-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-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

N-allyltetrahydroquinoline
CID 69120580
N-butyltetrahydroquinoline
CID 70628816
Dimethyl hexahydroquinoline
CID 129883835
4-Fluoro-4-(1-methylpiperidin-4-yl)cyclohexa-1,5-dien-1-amine
CID 152035661
3-Fluoro-4-[4-[methyl(propan-2-yl)amino]butan-2-yl]cyclohexa-1,3-dien-1-amine
CID 144296081
1-(Cyclohexen-1-yl)-3-methylpiperidin-4-amine
CID 20395866
2,3,4,6,6a,7,8,11a-octahydro-1H-benzo[b]quinolizin-8-amine;hydrochloride
CID 21584349
2,3,4,6,6a,7,8,11a-octahydro-1H-benzo[b]quinolizin-8-amine
CID 21584350
6-Methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine
CID 22967243
4-[(3-Methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111049
2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium
CID 58206237
1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 66600236

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride?
The IUPAC name of 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride (CID 86757258) is 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride.
What is the SMILES notation for 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride?
The canonical SMILES for 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride is CC1C2=CC(N)=CCC2CCN1C.Cl.
What is the InChIKey of 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride?
The InChIKey is ZZEWZYQBIWJDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.ClH/c1-8-11-7-10(12)4-3-9(11)5-6-13(8)2;/h4,7-9H,3,5-6,12H2,1-2H3;1H.
What are the key properties of 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride?
1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride has a molecular weight of 214.74 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine;hydrochloride is sourced from PubChem (CID 86757258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).