4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile

C12H24N2O — CID 106146761

IUPAC4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNCC(C)(C)CCO
InChIInChI=1S/C12H24N2O/c1-11(2,9-13)5-7-14-10-12(3,4)6-8-15/h14-15H,5-8,10H2,1-4H3
InChIKeySEJSBQNYDNHZDZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.92
Rot. Bonds7

About 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile

4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile (PubChem CID 106146761) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile
PubChem CID106146761
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNCC(C)(C)CCO
InChIInChI=1S/C12H24N2O/c1-11(2,9-13)5-7-14-10-12(3,4)6-8-15/h14-15H,5-8,10H2,1-4H3
InChIKeySEJSBQNYDNHZDZ-UHFFFAOYSA-N
XLogP1.92
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.92
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

4-[(2,3-dihydroxy-2-methylpropyl)amino]-2,2-dimethylbutanenitrile
CID 66186694
4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 106146641
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566
3,3-dimethyl-4-(2-methylsulfanylethylamino)butan-1-ol
CID 106146552
4-[2-(3-hydroxypropylsulfanyl)ethylamino]-2,2-dimethylbutanenitrile
CID 106310264
3,3-dimethyl-4-(prop-2-enylamino)butan-1-ol
CID 106146633
(4-hydroxy-2,2-dimethylbutyl)cyanamide
CID 106146768
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688
3,3-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 106146928
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol
CID 106146857

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile (CID 106146761) is 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCNCC(C)(C)CCO.
What is the InChIKey of 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is SEJSBQNYDNHZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,9-13)5-7-14-10-12(3,4)6-8-15/h14-15H,5-8,10H2,1-4H3.
What are the key properties of 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile?
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile has a molecular weight of 212.34 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 106146761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).