N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine

C16H20N2O — CID 106537491

IUPACN-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3CCCC3)c2c1
InChIInChI=1S/C16H20N2O/c1-19-14-7-6-13-8-9-17-16(15(13)10-14)18-11-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3,(H,17,18)
InChIKeyYIXILYBSKHHYKP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.85
Rot. Bonds4

About N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine

N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine (PubChem CID 106537491) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
PubChem CID106537491
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3CCCC3)c2c1
InChIInChI=1S/C16H20N2O/c1-19-14-7-6-13-8-9-17-16(15(13)10-14)18-11-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3,(H,17,18)
InChIKeyYIXILYBSKHHYKP-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
CID 106543382
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106538839
7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine
CID 106539026
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
N-(2-chlorocycloheptyl)-7-methoxyisoquinolin-1-amine
CID 106543045
N-[3-(2-chloroethoxy)propyl]-7-methoxyisoquinolin-1-amine
CID 106306394
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
CID 106540782
N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
CID 106537555

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine (CID 106537491) is N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine is COc1ccc2ccnc(NCC3CCCC3)c2c1.
What is the InChIKey of N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine?
The InChIKey is YIXILYBSKHHYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-14-7-6-13-8-9-17-16(15(13)10-14)18-11-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3,(H,17,18).
What are the key properties of N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine?
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106537491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).