N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine

C17H22N2O — CID 106538850

IUPACN-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC3CCC(C)C3C)nccc12
InChIInChI=1S/C17H22N2O/c1-11-7-8-15(12(11)2)19-17-14-5-4-6-16(20-3)13(14)9-10-18-17/h4-6,9-12,15H,7-8H2,1-3H3,(H,18,19)
InChIKeyHRBWXIHVNOZYFF-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.09
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine

N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine (PubChem CID 106538850) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
PubChem CID106538850
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC3CCC(C)C3C)nccc12
InChIInChI=1S/C17H22N2O/c1-11-7-8-15(12(11)2)19-17-14-5-4-6-16(20-3)13(14)9-10-18-17/h4-6,9-12,15H,7-8H2,1-3H3,(H,18,19)
InChIKeyHRBWXIHVNOZYFF-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537339
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
CID 106538942
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
CID 106538566
4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
CID 106536285
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-methoxyisoquinolin-1-amine
CID 167801144
N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106128982
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
CID 106538817
N-(2,3-dimethylcyclopentyl)quinolin-4-amine
CID 64923219

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine (CID 106538850) is N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine is COc1cccc2c(NC3CCC(C)C3C)nccc12.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine?
The InChIKey is HRBWXIHVNOZYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-7-8-15(12(11)2)19-17-14-5-4-6-16(20-3)13(14)9-10-18-17/h4-6,9-12,15H,7-8H2,1-3H3,(H,18,19).
What are the key properties of N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine?
N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine has a molecular weight of 270.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106538850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).