5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile

C12H22N2O — CID 111565160

IUPAC5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
SMILESC=CCN(CCO)CCCC(C)(C)C#N
InChIInChI=1S/C12H22N2O/c1-4-7-14(9-10-15)8-5-6-12(2,3)11-13/h4,15H,1,5-10H2,2-3H3
InChIKeyGDJRVVCHNJODLW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.80
Rot. Bonds8

About 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile

5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile (PubChem CID 111565160) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
PubChem CID111565160
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
SMILESC=CCN(CCO)CCCC(C)(C)C#N
InChIInChI=1S/C12H22N2O/c1-4-7-14(9-10-15)8-5-6-12(2,3)11-13/h4,15H,1,5-10H2,2-3H3
InChIKeyGDJRVVCHNJODLW-UHFFFAOYSA-N
XLogP1.80
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
CID 106713825
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089
6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
CID 87378049
6-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709935
5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 65255331
N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 60851340
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol
CID 114496866
2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
CID 115633472
3,3,3-trifluoro-2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]propanenitrile
CID 103372199

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile (CID 111565160) is 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile is C=CCN(CCO)CCCC(C)(C)C#N.
What is the InChIKey of 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is GDJRVVCHNJODLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-14(9-10-15)8-5-6-12(2,3)11-13/h4,15H,1,5-10H2,2-3H3.
What are the key properties of 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile?
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 210.32 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 111565160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).