4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile

C14H18N2O — CID 62983263

IUPAC4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)C1CCCCC1O
InChIInChI=1S/C14H18N2O/c1-16(13-4-2-3-5-14(13)17)12-8-6-11(10-15)7-9-12/h6-9,13-14,17H,2-5H2,1H3
InChIKeyWKXYMGAPCNOTBT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.30
Rot. Bonds2

About 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile

4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile (PubChem CID 62983263) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
PubChem CID62983263
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)C1CCCCC1O
InChIInChI=1S/C14H18N2O/c1-16(13-4-2-3-5-14(13)17)12-8-6-11(10-15)7-9-12/h6-9,13-14,17H,2-5H2,1H3
InChIKeyWKXYMGAPCNOTBT-UHFFFAOYSA-N
XLogP2.30
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyanocyclopentyl)-methylamino]benzonitrile
CID 55140211
3-[(2-hydroxycyclohexyl)-methylamino]-4-[(1S)-1-hydroxyethyl]benzonitrile
CID 102632839
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
CID 102635903
5-bromo-2-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 102632143
cyclopentanol;4-methylbenzonitrile
CID 144616073
2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol
CID 102631429
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
2-[(2-hydroxycyclohexyl)-methylamino]-4-methoxybenzonitrile
CID 102632147
4-[(2-cyano-5-ethylcyclohexyl)-methylamino]benzonitrile
CID 62969646
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204
4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile
CID 79111258

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile?
The IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile (CID 62983263) is 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile is CN(c1ccc(C#N)cc1)C1CCCCC1O.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile?
The InChIKey is WKXYMGAPCNOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(13-4-2-3-5-14(13)17)12-8-6-11(10-15)7-9-12/h6-9,13-14,17H,2-5H2,1H3.
What are the key properties of 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile?
4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile is sourced from PubChem (CID 62983263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).