3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine

C18H24N2 — CID 103137487

IUPAC3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)c1cccc2ccncc12
InChIInChI=1S/C18H24N2/c1-19-18(10-9-14-5-2-3-6-14)16-8-4-7-15-11-12-20-13-17(15)16/h4,7-8,11-14,18-19H,2-3,5-6,9-10H2,1H3
InChIKeyJYIFPDOFHFUUKO-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.47
Rot. Bonds5

About 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine

3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine (PubChem CID 103137487) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
PubChem CID103137487
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)c1cccc2ccncc12
InChIInChI=1S/C18H24N2/c1-19-18(10-9-14-5-2-3-6-14)16-8-4-7-15-11-12-20-13-17(15)16/h4,7-8,11-14,18-19H,2-3,5-6,9-10H2,1H3
InChIKeyJYIFPDOFHFUUKO-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclohexyl-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141698
3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
CID 103136749
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
3-cyclopentyl-N-methyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 114192227
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103136574
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine
CID 103137904
2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine
CID 103135986

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine (CID 103137487) is 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine is CNC(CCC1CCCC1)c1cccc2ccncc12.
What is the InChIKey of 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine?
The InChIKey is JYIFPDOFHFUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-19-18(10-9-14-5-2-3-6-14)16-8-4-7-15-11-12-20-13-17(15)16/h4,7-8,11-14,18-19H,2-3,5-6,9-10H2,1H3.
What are the key properties of 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine?
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine is sourced from PubChem (CID 103137487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).