5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile

C16H24N2O — CID 115670388

IUPAC5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNC(C)(CO)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-15(2,12-17)10-7-11-18-16(3,13-19)14-8-5-4-6-9-14/h4-6,8-9,18-19H,7,10-11,13H2,1-3H3
InChIKeyOHSDEPSQINRNFY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds7

About 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile

5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile (PubChem CID 115670388) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile
PubChem CID115670388
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNC(C)(CO)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-15(2,12-17)10-7-11-18-16(3,13-19)14-8-5-4-6-9-14/h4-6,8-9,18-19H,7,10-11,13H2,1-3H3
InChIKeyOHSDEPSQINRNFY-UHFFFAOYSA-N
XLogP2.81
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.81
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-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-(3-methoxypropylamino)-2-phenylpropan-1-ol
CID 115621374
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
CID 113411730
5-anilino-2,2-dimethylpentanenitrile
CID 65256464
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
N'-hydroxy-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]butanimidamide
CID 105058316
5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2,2-dimethylpentanenitrile
CID 107865253
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
CID 103713971
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanenitrile
CID 105057999
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile (CID 115670388) is 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCNC(C)(CO)c1ccccc1.
What is the InChIKey of 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is OHSDEPSQINRNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2,12-17)10-7-11-18-16(3,13-19)14-8-5-4-6-9-14/h4-6,8-9,18-19H,7,10-11,13H2,1-3H3.
What are the key properties of 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile?
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 260.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 115670388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).