3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine

C17H22N2 — CID 115856292

IUPAC3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
SMILESNC(CCC1CCCC1)c1cncc2ccccc12
InChIInChI=1S/C17H22N2/c18-17(10-9-13-5-1-2-6-13)16-12-19-11-14-7-3-4-8-15(14)16/h3-4,7-8,11-13,17H,1-2,5-6,9-10,18H2
InChIKeyDGLDFFMPOHOLBM-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.20
Rot. Bonds4

About 3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine

3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine (PubChem CID 115856292) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
PubChem CID115856292
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
SMILESNC(CCC1CCCC1)c1cncc2ccccc12
InChIInChI=1S/C17H22N2/c18-17(10-9-13-5-1-2-6-13)16-12-19-11-14-7-3-4-8-15(14)16/h3-4,7-8,11-13,17H,1-2,5-6,9-10,18H2
InChIKeyDGLDFFMPOHOLBM-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

3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
CID 103136749
2-cyclohexylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65139951
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046
(3-cyclohexyl-1-naphthalen-1-ylpropyl)hydrazine
CID 105301235
3-cyclopentyl-1-quinolin-5-ylpropan-1-amine
CID 105020216
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine (CID 115856292) is 3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine is NC(CCC1CCCC1)c1cncc2ccccc12.
What is the InChIKey of 3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine?
The InChIKey is DGLDFFMPOHOLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-17(10-9-13-5-1-2-6-13)16-12-19-11-14-7-3-4-8-15(14)16/h3-4,7-8,11-13,17H,1-2,5-6,9-10,18H2.
What are the key properties of 3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine?
3-cyclopentyl-1-isoquinolin-4-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-4-ylpropan-1-amine is sourced from PubChem (CID 115856292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).