3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine

C17H22N2 — CID 103136749

IUPAC3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
SMILESNC(CCC1CCCC1)c1cccc2ccncc12
InChIInChI=1S/C17H22N2/c18-17(9-8-13-4-1-2-5-13)15-7-3-6-14-10-11-19-12-16(14)15/h3,6-7,10-13,17H,1-2,4-5,8-9,18H2
InChIKeyHUIBNEIWOUOWTJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.20
Rot. Bonds4

About 3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine

3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine (PubChem CID 103136749) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
PubChem CID103136749
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
SMILESNC(CCC1CCCC1)c1cccc2ccncc12
InChIInChI=1S/C17H22N2/c18-17(9-8-13-4-1-2-5-13)15-7-3-6-14-10-11-19-12-16(14)15/h3,6-7,10-13,17H,1-2,4-5,8-9,18H2
InChIKeyHUIBNEIWOUOWTJ-UHFFFAOYSA-N
XLogP4.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
(3-cyclohexyl-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141698
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
3-cyclopentyl-1-quinolin-5-ylpropan-1-amine
CID 105020216
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074
isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103136574
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
isoquinolin-8-yl-(2-methylcyclopropyl)methanamine
CID 103137397
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine (CID 103136749) is 3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine is NC(CCC1CCCC1)c1cccc2ccncc12.
What is the InChIKey of 3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine?
The InChIKey is HUIBNEIWOUOWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-17(9-8-13-4-1-2-5-13)15-7-3-6-14-10-11-19-12-16(14)15/h3,6-7,10-13,17H,1-2,4-5,8-9,18H2.
What are the key properties of 3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine?
3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.20, 4 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-ylpropan-1-amine is sourced from PubChem (CID 103136749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).