N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine

C16H21N3O — CID 106540782

IUPACN-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CCCC3CN)c2c1
InChIInChI=1S/C16H21N3O/c1-20-13-6-5-11-7-8-18-16(14(11)9-13)19-15-4-2-3-12(15)10-17/h5-9,12,15H,2-4,10,17H2,1H3,(H,18,19)
InChIKeyFFCRTLWEZPCBPK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine

N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine (PubChem CID 106540782) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
PubChem CID106540782
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CCCC3CN)c2c1
InChIInChI=1S/C16H21N3O/c1-20-13-6-5-11-7-8-18-16(14(11)9-13)19-15-4-2-3-12(15)10-17/h5-9,12,15H,2-4,10,17H2,1H3,(H,18,19)
InChIKeyFFCRTLWEZPCBPK-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(aminomethyl)cyclopentyl]amino]isoquinolin-7-ol
CID 106540779
N-(2-chlorocycloheptyl)-7-methoxyisoquinolin-1-amine
CID 106543045
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974
N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine
CID 106538857
7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
CID 106539264
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
CID 106543382

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine (CID 106540782) is N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine is COc1ccc2ccnc(NC3CCCC3CN)c2c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine?
The InChIKey is FFCRTLWEZPCBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-13-6-5-11-7-8-18-16(14(11)9-13)19-15-4-2-3-12(15)10-17/h5-9,12,15H,2-4,10,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine?
N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106540782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).