1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine

C18H24N2 — CID 65411220

IUPAC1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cncc3ccccc23)C1
InChIInChI=1S/C18H24N2/c1-3-13-8-9-14(10-13)18(19-2)17-12-20-11-15-6-4-5-7-16(15)17/h4-7,11-14,18-19H,3,8-10H2,1-2H3
InChIKeyBQFKDIUCIBRNRP-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.32
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine

1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine (PubChem CID 65411220) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine
PubChem CID65411220
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cncc3ccccc23)C1
InChIInChI=1S/C18H24N2/c1-3-13-8-9-14(10-13)18(19-2)17-12-20-11-15-6-4-5-7-16(15)17/h4-7,11-14,18-19H,3,8-10H2,1-2H3
InChIKeyBQFKDIUCIBRNRP-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine
CID 65411208
1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330415
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105233617
1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 65410433
1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65411611
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191
1-isoquinolin-4-yl-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621787
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186
1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 64738647
[(3-ethylcyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105233566
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The IUPAC name of 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine (CID 65411220) is 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine is CCC1CCC(C(NC)c2cncc3ccccc23)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The InChIKey is BQFKDIUCIBRNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-13-8-9-14(10-13)18(19-2)17-12-20-11-15-6-4-5-7-16(15)17/h4-7,11-14,18-19H,3,8-10H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine?
1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine has a molecular weight of 268.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine is sourced from PubChem (CID 65411220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).