2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride

C19H30Cl2N2 — CID 3068657

IUPAC2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride
SMILESCN(C)CCC1Cc2ccccc2C(C2CCCCC2)=N1.Cl.Cl
InChIInChI=1S/C19H28N2.2ClH/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15;;/h6-7,10-11,15,17H,3-5,8-9,12-14H2,1-2H3;2*1H
InChIKeyFIMJKCDOCONPLM-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.78
Rot. Bonds4

About 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride

2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride (PubChem CID 3068657) has the molecular formula C19H30Cl2N2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride
PubChem CID3068657
Molecular FormulaC19H30Cl2N2
Molecular Weight357.37 g/mol
Exact Mass356.18
IUPAC Name2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride
SMILESCN(C)CCC1Cc2ccccc2C(C2CCCCC2)=N1.Cl.Cl
InChIInChI=1S/C19H28N2.2ClH/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15;;/h6-7,10-11,15,17H,3-5,8-9,12-14H2,1-2H3;2*1H
InChIKeyFIMJKCDOCONPLM-UHFFFAOYSA-N
XLogP4.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile
CID 2842456
3-Methyl-1-phenethyl-3,4-dihydroisoquinoline hydrochloride
CID 24747746
1-Phenyl-3,4-dihydroisoquinoline hydrochloride
CID 12220823
N-[3-(dimethylamino)propyl]-N-[(2,6-dimethylphenyl)(phenyl)methylene]amine
CID 15945547
1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide
CID 3078426
N~1~-[bis(2-methylphenyl)methylene]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 15945458
1,4-Dimethyl-3,4-dihydroisoquinoline
CID 321435
1,3-Dimethyl-3,4-dihydroisoquinoline
CID 3245338
1,3-Dimethyl-3,4-dihydroisoquinoline;hydrochloride
CID 6603531
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine
CID 21483800

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride?
The IUPAC name of 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride (CID 3068657) is 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride.
What is the SMILES notation for 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride?
The canonical SMILES for 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride is CN(C)CCC1Cc2ccccc2C(C2CCCCC2)=N1.Cl.Cl.
What is the InChIKey of 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride?
The InChIKey is FIMJKCDOCONPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2.2ClH/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15;;/h6-7,10-11,15,17H,3-5,8-9,12-14H2,1-2H3;2*1H.
What are the key properties of 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride?
2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride has a molecular weight of 357.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;dihydrochloride is sourced from PubChem (CID 3068657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).