4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine

C17H22N2 — CID 103132423

IUPAC4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cccc3ccncc23)C1
InChIInChI=1S/C17H22N2/c1-2-12-6-7-17(18)15(10-12)14-5-3-4-13-8-9-19-11-16(13)14/h3-5,8-9,11-12,15,17H,2,6-7,10,18H2,1H3
InChIKeyNDVKZCMLGVRKGG-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.86
Rot. Bonds2

About 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine

4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine (PubChem CID 103132423) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
PubChem CID103132423
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cccc3ccncc23)C1
InChIInChI=1S/C17H22N2/c1-2-12-6-7-17(18)15(10-12)14-5-3-4-13-8-9-19-11-16(13)14/h3-5,8-9,11-12,15,17H,2,6-7,10,18H2,1H3
InChIKeyNDVKZCMLGVRKGG-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-8-yl-4-methylcyclohexan-1-amine
CID 103132421
2-naphthalen-1-yl-4-propylcyclohexan-1-amine
CID 81014619
2-isoquinolin-5-ylcyclohexan-1-amine
CID 62812316
5-(3-ethylpiperidin-4-yl)isoquinoline
CID 114510663
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine
CID 114747529
8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline
CID 138572820
2-isoquinolin-8-yl-N-methylcycloheptan-1-amine
CID 103139261
4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
CID 81015045
2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
CID 81014170
(2-isoquinolin-5-ylcyclopentyl)methanamine
CID 81010560
2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine (CID 103132423) is 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine is CCC1CCC(N)C(c2cccc3ccncc23)C1.
What is the InChIKey of 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine?
The InChIKey is NDVKZCMLGVRKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-12-6-7-17(18)15(10-12)14-5-3-4-13-8-9-19-11-16(13)14/h3-5,8-9,11-12,15,17H,2,6-7,10,18H2,1H3.
What are the key properties of 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine?
4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine is sourced from PubChem (CID 103132423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).