[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C17H28N4 — CID 82584768

IUPAC[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCc1cccc2c1C(N1CCN(C)CC1)CN(C)C2CN
InChIInChI=1S/C17H28N4/c1-13-5-4-6-14-15(11-18)20(3)12-16(17(13)14)21-9-7-19(2)8-10-21/h4-6,15-16H,7-12,18H2,1-3H3
InChIKeyATWKOSRLOLOWOP-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.23
Rot. Bonds2

About [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82584768) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82584768
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCc1cccc2c1C(N1CCN(C)CC1)CN(C)C2CN
InChIInChI=1S/C17H28N4/c1-13-5-4-6-14-15(11-18)20(3)12-16(17(13)14)21-9-7-19(2)8-10-21/h4-6,15-16H,7-12,18H2,1-3H3
InChIKeyATWKOSRLOLOWOP-UHFFFAOYSA-N
XLogP1.23
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine 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

[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584814
[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583930
(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584748
1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 82584740
[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584864
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584140
(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 83693378
(1,7-dimethyl-2,3-dihydroindol-3-yl)methanamine
CID 82276793
[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583894
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
CID 133054473

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82584768) is [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is Cc1cccc2c1C(N1CCN(C)CC1)CN(C)C2CN.
What is the InChIKey of [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is ATWKOSRLOLOWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-5-4-6-14-15(11-18)20(3)12-16(17(13)14)21-9-7-19(2)8-10-21/h4-6,15-16H,7-12,18H2,1-3H3.
What are the key properties of [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82584768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).