2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile

C15H21N3O — CID 106359179

IUPAC2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile
SMILESN#CCc1cc(NC2CCCCC2CO)ccc1N
InChIInChI=1S/C15H21N3O/c16-8-7-11-9-13(5-6-14(11)17)18-15-4-2-1-3-12(15)10-19/h5-6,9,12,15,18-19H,1-4,7,10,17H2
InChIKeyLIMXYQKGFWPMEP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.30
Rot. Bonds4

About 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile

2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile (PubChem CID 106359179) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile
PubChem CID106359179
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile
SMILESN#CCc1cc(NC2CCCCC2CO)ccc1N
InChIInChI=1S/C15H21N3O/c16-8-7-11-9-13(5-6-14(11)17)18-15-4-2-1-3-12(15)10-19/h5-6,9,12,15,18-19H,1-4,7,10,17H2
InChIKeyLIMXYQKGFWPMEP-UHFFFAOYSA-N
XLogP2.30
TPSA82.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
CID 102624240
2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile
CID 102624577
2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
CID 102624243
2-[2-amino-5-[(2-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 102624457
2-[2-amino-5-[(2,2-dimethylcyclopropyl)amino]phenyl]acetonitrile
CID 102624187
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
CID 102623958
2-[2-amino-5-[(3-ethylcyclohexyl)amino]phenyl]acetonitrile
CID 102624414
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile
CID 102624597
2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
CID 102624332
2-[2-amino-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]phenyl]acetonitrile
CID 102624255
2-[2-amino-5-[(3-hydroxycyclobutyl)methylamino]phenyl]acetonitrile
CID 102624464

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile (CID 106359179) is 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile is N#CCc1cc(NC2CCCCC2CO)ccc1N.
What is the InChIKey of 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile?
The InChIKey is LIMXYQKGFWPMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-8-7-11-9-13(5-6-14(11)17)18-15-4-2-1-3-12(15)10-19/h5-6,9,12,15,18-19H,1-4,7,10,17H2.
What are the key properties of 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile?
2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile is sourced from PubChem (CID 106359179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).