1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine

C17H22N2O — CID 103143775

IUPAC1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1(OC)CCCC1
InChIInChI=1S/C17H22N2O/c1-18-16(17(20-2)9-3-4-10-17)14-7-5-6-13-8-11-19-12-15(13)14/h5-8,11-12,16,18H,3-4,9-10H2,1-2H3
InChIKeyJKTWYXUDBIKIRI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.45
Rot. Bonds4

About 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine

1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine (PubChem CID 103143775) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine
PubChem CID103143775
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1(OC)CCCC1
InChIInChI=1S/C17H22N2O/c1-18-16(17(20-2)9-3-4-10-17)14-7-5-6-13-8-11-19-12-15(13)14/h5-8,11-12,16,18H,3-4,9-10H2,1-2H3
InChIKeyJKTWYXUDBIKIRI-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762819
isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 103143523
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 107005206
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611200
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
CID 103143798
3-[ethylamino-(1-methoxycyclopentyl)methyl]pyridin-4-amine
CID 104611312
[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268700

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine (CID 103143775) is 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine is CNC(c1cccc2ccncc12)C1(OC)CCCC1.
What is the InChIKey of 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine?
The InChIKey is JKTWYXUDBIKIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-16(17(20-2)9-3-4-10-17)14-7-5-6-13-8-11-19-12-15(13)14/h5-8,11-12,16,18H,3-4,9-10H2,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine?
1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 103143775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).