3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile

C17H24N2 — CID 61466987

IUPAC3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile
SMILESCCC1CCC(NC(C)c2cccc(C#N)c2)CC1
InChIInChI=1S/C17H24N2/c1-3-14-7-9-17(10-8-14)19-13(2)16-6-4-5-15(11-16)12-18/h4-6,11,13-14,17,19H,3,7-10H2,1-2H3
InChIKeyOYHDFRSBTZMYMJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.18
Rot. Bonds4

About 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile

3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile (PubChem CID 61466987) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile
PubChem CID61466987
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile
SMILESCCC1CCC(NC(C)c2cccc(C#N)c2)CC1
InChIInChI=1S/C17H24N2/c1-3-14-7-9-17(10-8-14)19-13(2)16-6-4-5-15(11-16)12-18/h4-6,11,13-14,17,19H,3,7-10H2,1-2H3
InChIKeyOYHDFRSBTZMYMJ-UHFFFAOYSA-N
XLogP4.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzonitrile
CID 60973082
3-[1-[(4-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43761537
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43775849
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
3-[1-[(1,2-dimethylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 81342944
3-[1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethyl]benzonitrile
CID 65471212
3-[1-(3-cyanophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066622
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857
3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
CID 43775260
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile?
The IUPAC name of 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile (CID 61466987) is 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile?
The canonical SMILES for 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile is CCC1CCC(NC(C)c2cccc(C#N)c2)CC1.
What is the InChIKey of 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile?
The InChIKey is OYHDFRSBTZMYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-14-7-9-17(10-8-14)19-13(2)16-6-4-5-15(11-16)12-18/h4-6,11,13-14,17,19H,3,7-10H2,1-2H3.
What are the key properties of 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile?
3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile has a molecular weight of 256.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 61466987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).