(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine

C17H22N2 — CID 65411208

IUPAC(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine
SMILESCCC1CCC(C(N)c2cncc3ccccc23)C1
InChIInChI=1S/C17H22N2/c1-2-12-7-8-13(9-12)17(18)16-11-19-10-14-5-3-4-6-15(14)16/h3-6,10-13,17H,2,7-9,18H2,1H3
InChIKeyNYJSPUJMACGNAJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.06
Rot. Bonds3

About (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine

(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine (PubChem CID 65411208) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine.

Molecular Properties

Compound Name(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine
PubChem CID65411208
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine
SMILESCCC1CCC(C(N)c2cncc3ccccc23)C1
InChIInChI=1S/C17H22N2/c1-2-12-7-8-13(9-12)17(18)16-11-19-10-14-5-3-4-6-15(14)16/h3-6,10-13,17H,2,7-9,18H2,1H3
InChIKeyNYJSPUJMACGNAJ-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 65411220
isoquinolin-4-yl-(3-methylcyclohexyl)methanamine
CID 63938819
(3-ethylcyclopentyl)-quinolin-8-ylmethanamine
CID 81231414
(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708268
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105233617
isoquinolin-4-yl(oxan-3-yl)methanamine
CID 65331748
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine?
The IUPAC name of (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine (CID 65411208) is (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine.
What is the SMILES notation for (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine?
The canonical SMILES for (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine is CCC1CCC(C(N)c2cncc3ccccc23)C1.
What is the InChIKey of (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine?
The InChIKey is NYJSPUJMACGNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-12-7-8-13(9-12)17(18)16-11-19-10-14-5-3-4-6-15(14)16/h3-6,10-13,17H,2,7-9,18H2,1H3.
What are the key properties of (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine?
(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine has a molecular weight of 254.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine is sourced from PubChem (CID 65411208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).