(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine

C17H22N2 — CID 115853123

IUPAC(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine
SMILESCCC1(C(N)c2cccc3cnccc23)CCCC1
InChIInChI=1S/C17H22N2/c1-2-17(9-3-4-10-17)16(18)15-7-5-6-13-12-19-11-8-14(13)15/h5-8,11-12,16H,2-4,9-10,18H2,1H3
InChIKeyBYMAKYYVMOOHGP-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.20
Rot. Bonds3

About (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine

(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine (PubChem CID 115853123) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine
PubChem CID115853123
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine
SMILESCCC1(C(N)c2cccc3cnccc23)CCCC1
InChIInChI=1S/C17H22N2/c1-2-17(9-3-4-10-17)16(18)15-7-5-6-13-12-19-11-8-14(13)15/h5-8,11-12,16H,2-4,9-10,18H2,1H3
InChIKeyBYMAKYYVMOOHGP-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830050
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511
2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
CID 116725171
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
(1-isoquinolin-5-yl-2,2-dimethylbutyl)hydrazine
CID 105303126
isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine
CID 103137667

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine?
The IUPAC name of (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine (CID 115853123) is (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine.
What is the SMILES notation for (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine?
The canonical SMILES for (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine is CCC1(C(N)c2cccc3cnccc23)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine?
The InChIKey is BYMAKYYVMOOHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-17(9-3-4-10-17)16(18)15-7-5-6-13-12-19-11-8-14(13)15/h5-8,11-12,16H,2-4,9-10,18H2,1H3.
What are the key properties of (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine?
(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine has a molecular weight of 254.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine is sourced from PubChem (CID 115853123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).