4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile

C16H22N2 — CID 43709316

IUPAC4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile
SMILESCCC1CCCCC1NCc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2/c1-2-15-5-3-4-6-16(15)18-12-14-9-7-13(11-17)8-10-14/h7-10,15-16,18H,2-6,12H2,1H3
InChIKeyHMFWXAMLLPABIU-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.62
Rot. Bonds4

About 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile

4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile (PubChem CID 43709316) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile
PubChem CID43709316
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile
SMILESCCC1CCCCC1NCc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2/c1-2-15-5-3-4-6-16(15)18-12-14-9-7-13(11-17)8-10-14/h7-10,15-16,18H,2-6,12H2,1H3
InChIKeyHMFWXAMLLPABIU-UHFFFAOYSA-N
XLogP3.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 79979070
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
5-[[(2-ethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79545724
4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile
CID 103711563
2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43434136
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345
tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate
CID 113242252
N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 55200279
4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile
CID 64501740
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
CID 115691377
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
N-[(4-bromo-3-nitrophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434117

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile (CID 43709316) is 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile is CCC1CCCCC1NCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile?
The InChIKey is HMFWXAMLLPABIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-15-5-3-4-6-16(15)18-12-14-9-7-13(11-17)8-10-14/h7-10,15-16,18H,2-6,12H2,1H3.
What are the key properties of 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile?
4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile is sourced from PubChem (CID 43709316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).