2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine

C19H26N2 — CID 103136574

IUPAC2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine
SMILESCCNC(CC1CCCCC1)c1cccc2ccncc12
InChIInChI=1S/C19H26N2/c1-2-21-19(13-15-7-4-3-5-8-15)17-10-6-9-16-11-12-20-14-18(16)17/h6,9-12,14-15,19,21H,2-5,7-8,13H2,1H3
InChIKeyBNKFIFQBZBEFOO-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.86
Rot. Bonds5

About 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine

2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine (PubChem CID 103136574) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine
PubChem CID103136574
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine
SMILESCCNC(CC1CCCCC1)c1cccc2ccncc12
InChIInChI=1S/C19H26N2/c1-2-21-19(13-15-7-4-3-5-8-15)17-10-6-9-16-11-12-20-14-18(16)17/h6,9-12,14-15,19,21H,2-5,7-8,13H2,1H3
InChIKeyBNKFIFQBZBEFOO-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 63416140
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
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
2-butan-2-ylsulfanyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103143599
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
CID 103136749
N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine
CID 103136933

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine?
The IUPAC name of 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine (CID 103136574) is 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine is CCNC(CC1CCCCC1)c1cccc2ccncc12.
What is the InChIKey of 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine?
The InChIKey is BNKFIFQBZBEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-21-19(13-15-7-4-3-5-8-15)17-10-6-9-16-11-12-20-14-18(16)17/h6,9-12,14-15,19,21H,2-5,7-8,13H2,1H3.
What are the key properties of 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine?
2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine is sourced from PubChem (CID 103136574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).