3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile

C17H24N2O — CID 64538669

IUPAC3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile
SMILESN#CC(CNCCOC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O/c18-13-16(15-7-3-1-4-8-15)14-19-11-12-20-17-9-5-2-6-10-17/h1,3-4,7-8,16-17,19H,2,5-6,9-12,14H2
InChIKeyUFUIVCKNGOGPQH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.23
Rot. Bonds7

About 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile

3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile (PubChem CID 64538669) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile
PubChem CID64538669
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile
SMILESN#CC(CNCCOC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O/c18-13-16(15-7-3-1-4-8-15)14-19-11-12-20-17-9-5-2-6-10-17/h1,3-4,7-8,16-17,19H,2,5-6,9-12,14H2
InChIKeyUFUIVCKNGOGPQH-UHFFFAOYSA-N
XLogP3.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexyloxyethylamino)-1-phenylethanol
CID 55259175
3-(cyclobutylmethylamino)-2-phenylpropanenitrile
CID 64538638
3-(3-methylbutylamino)-2-phenylpropanenitrile
CID 64533176
3-[2-(3-methylcyclohexyl)ethylamino]-2-phenylpropanenitrile
CID 64536641
3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
CID 105416496
3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile
CID 64533582
3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile
CID 82696688
2-cyclohexyloxy-2-phenylacetonitrile
CID 101349721
3-(2-cyclohexyloxyethylamino)propanenitrile
CID 63828223

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile (CID 64538669) is 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile is N#CC(CNCCOC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile?
The InChIKey is UFUIVCKNGOGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-13-16(15-7-3-1-4-8-15)14-19-11-12-20-17-9-5-2-6-10-17/h1,3-4,7-8,16-17,19H,2,5-6,9-12,14H2.
What are the key properties of 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile?
3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile has a molecular weight of 272.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 64538669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).