2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile

C12H22N2O — CID 62586794

IUPAC2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile
SMILESCC(C#N)(NCCCO)C1CCCCC1
InChIInChI=1S/C12H22N2O/c1-12(10-13,14-8-5-9-15)11-6-3-2-4-7-11/h11,14-15H,2-9H2,1H3
InChIKeyHNSSFIYNUWPSTG-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.82
Rot. Bonds5

About 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile

2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile (PubChem CID 62586794) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile
PubChem CID62586794
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile
SMILESCC(C#N)(NCCCO)C1CCCCC1
InChIInChI=1S/C12H22N2O/c1-12(10-13,14-8-5-9-15)11-6-3-2-4-7-11/h11,14-15H,2-9H2,1H3
InChIKeyHNSSFIYNUWPSTG-UHFFFAOYSA-N
XLogP1.82
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-(2-hydroxyethylamino)propanenitrile
CID 62587847
2-(3-azidopropylamino)-2-cyclopentylpropanenitrile
CID 66188885
2-cyclohexyl-2-(3-hydroxypropoxy)propanenitrile
CID 103376423
2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile
CID 60996499
2-(benzylamino)-2-cyclopentylpropanenitrile
CID 55096722
N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide
CID 95628214
3-[[2-amino-1,1-di(cyclobutyl)ethyl]amino]propan-1-ol
CID 174712121
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium
CID 9265619
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
CID 115216597
2-(4-chloroanilino)-2-cyclohexylpropanenitrile
CID 54886371
2-(3-hydroxypropylamino)-2-methylnonanenitrile
CID 62588050
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile?
The IUPAC name of 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile (CID 62586794) is 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile.
What is the SMILES notation for 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile?
The canonical SMILES for 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile is CC(C#N)(NCCCO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile?
The InChIKey is HNSSFIYNUWPSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(10-13,14-8-5-9-15)11-6-3-2-4-7-11/h11,14-15H,2-9H2,1H3.
What are the key properties of 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile?
2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile has a molecular weight of 210.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile is sourced from PubChem (CID 62586794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).