2-cyclohexyl-1-isoquinolin-8-ylethanamine

C17H22N2 — CID 103135918

IUPAC2-cyclohexyl-1-isoquinolin-8-ylethanamine
SMILESNC(CC1CCCCC1)c1cccc2ccncc12
InChIInChI=1S/C17H22N2/c18-17(11-13-5-2-1-3-6-13)15-8-4-7-14-9-10-19-12-16(14)15/h4,7-10,12-13,17H,1-3,5-6,11,18H2
InChIKeyZORUXVGVSREJLD-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.20
Rot. Bonds3

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

2-cyclohexyl-1-isoquinolin-8-ylethanamine (PubChem CID 103135918) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-cyclohexyl-1-isoquinolin-8-ylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-isoquinolin-8-ylethanamine
PubChem CID103135918
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-cyclohexyl-1-isoquinolin-8-ylethanamine
SMILESNC(CC1CCCCC1)c1cccc2ccncc12
InChIInChI=1S/C17H22N2/c18-17(11-13-5-2-1-3-6-13)15-8-4-7-14-9-10-19-12-16(14)15/h4,7-10,12-13,17H,1-3,5-6,11,18H2
InChIKeyZORUXVGVSREJLD-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

3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
CID 103136749
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103136574
(3-cyclohexyl-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141698
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
2-cyclohexyl-1-quinoxalin-5-ylethanamine
CID 105135471
2-cyclopentyl-1-isoquinolin-1-ylethanamine
CID 63950469
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
CID 103143427
isoquinolin-8-yl-(2-methylcyclopropyl)methanamine
CID 103137397
isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine
CID 103137667
4-(1-amino-2-cyclopropylethyl)pyridin-3-amine
CID 55292075

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-isoquinolin-8-ylethanamine?
The IUPAC name of 2-cyclohexyl-1-isoquinolin-8-ylethanamine (CID 103135918) is 2-cyclohexyl-1-isoquinolin-8-ylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-isoquinolin-8-ylethanamine?
The canonical SMILES for 2-cyclohexyl-1-isoquinolin-8-ylethanamine is NC(CC1CCCCC1)c1cccc2ccncc12.
What is the InChIKey of 2-cyclohexyl-1-isoquinolin-8-ylethanamine?
The InChIKey is ZORUXVGVSREJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-17(11-13-5-2-1-3-6-13)15-8-4-7-14-9-10-19-12-16(14)15/h4,7-10,12-13,17H,1-3,5-6,11,18H2.
What are the key properties of 2-cyclohexyl-1-isoquinolin-8-ylethanamine?
2-cyclohexyl-1-isoquinolin-8-ylethanamine 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 2-cyclohexyl-1-isoquinolin-8-ylethanamine is sourced from PubChem (CID 103135918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).