5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile

C12H24N2O — CID 115672467

IUPAC5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
SMILESCCN(CCCO)CCCC(C)(C)C#N
InChIInChI=1S/C12H24N2O/c1-4-14(9-6-10-15)8-5-7-12(2,3)11-13/h15H,4-10H2,1-3H3
InChIKeyCFVIHSNCMMTAKK-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.02
Rot. Bonds8

About 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile

5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile (PubChem CID 115672467) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
PubChem CID115672467
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
SMILESCCN(CCCO)CCCC(C)(C)C#N
InChIInChI=1S/C12H24N2O/c1-4-14(9-6-10-15)8-5-7-12(2,3)11-13/h15H,4-10H2,1-3H3
InChIKeyCFVIHSNCMMTAKK-UHFFFAOYSA-N
XLogP2.02
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile
CID 65257246
4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
CID 102993281
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
CID 65248790
5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
CID 115666448
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
CID 114133524
6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
CID 106713825
2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide
CID 65257303
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile (CID 115672467) is 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile is CCN(CCCO)CCCC(C)(C)C#N.
What is the InChIKey of 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is CFVIHSNCMMTAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-14(9-6-10-15)8-5-7-12(2,3)11-13/h15H,4-10H2,1-3H3.
What are the key properties of 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile?
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 115672467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).