5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile

C9H18N2O — CID 115651598

IUPAC5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCCO
InChIInChI=1S/C9H18N2O/c1-9(2,4-3-5-10)8-11-6-7-12/h11-12H,3-4,6-8H2,1-2H3
InChIKeyODLOUBUGXCPGOZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.90
Rot. Bonds6

About 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile

5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile (PubChem CID 115651598) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile
PubChem CID115651598
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCCO
InChIInChI=1S/C9H18N2O/c1-9(2,4-3-5-10)8-11-6-7-12/h11-12H,3-4,6-8H2,1-2H3
InChIKeyODLOUBUGXCPGOZ-UHFFFAOYSA-N
XLogP0.90
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.90
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

5-[(3,3-Difluoro-2-hydroxypropyl)amino]-4,4-dimethylpentanenitrile
CID 103731617
2,2-Dimethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanenitrile
CID 105644834
5-[(3,3-Difluoro-2-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 105645253
6-[(3,3-Difluoro-2-hydroxypropyl)amino]-2,2-dimethylhexanenitrile
CID 105645333
5-[(2,2-Difluoro-3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 106176562
2,2-Dimethyl-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]hexanenitrile
CID 114093391
4,4-Dimethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanenitrile
CID 115652687
2-[(6-Amino-2,2,4-trimethylhexyl)amino]ethanol
CID 20447485
2-(4,4-Dimethylpentylamino)ethanol
CID 54172967
2-[[2-Methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol
CID 118570211
2-(2,4,4-Trimethylpentylamino)ethanol
CID 171633934
2-[[2-(Ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol
CID 55056321

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile?
The IUPAC name of 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile (CID 115651598) is 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNCCO.
What is the InChIKey of 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile?
The InChIKey is ODLOUBUGXCPGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,4-3-5-10)8-11-6-7-12/h11-12H,3-4,6-8H2,1-2H3.
What are the key properties of 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile?
5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile has a molecular weight of 170.26 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115651598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).