4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile

C12H24N2O — CID 103993401

IUPAC4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNC(C)(C)C(C)(C)O
InChIInChI=1S/C12H24N2O/c1-10(2,9-13)7-8-14-11(3,4)12(5,6)15/h14-15H,7-8H2,1-6H3
InChIKeyJWGFWGAELAWOII-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.07
Rot. Bonds5

About 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile

4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile (PubChem CID 103993401) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile
PubChem CID103993401
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNC(C)(C)C(C)(C)O
InChIInChI=1S/C12H24N2O/c1-10(2,9-13)7-8-14-11(3,4)12(5,6)15/h14-15H,7-8H2,1-6H3
InChIKeyJWGFWGAELAWOII-UHFFFAOYSA-N
XLogP2.07
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 102977870
4-[(2,3-dihydroxy-2-methylpropyl)amino]-2,2-dimethylbutanenitrile
CID 66186694
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile
CID 106146761
2,2-dimethyl-4-(2,3,4,5,6-pentafluoroanilino)butanenitrile
CID 115564371
3-(2-cyclopropylethylamino)-2,3-dimethylbutan-2-ol
CID 103993555
2,3-dimethyl-3-(nonylamino)butan-2-ol
CID 106189952
4-[2-(3-hydroxypropylsulfanyl)ethylamino]-2,2-dimethylbutanenitrile
CID 106310264
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
CID 115356567
5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2,2-dimethylpentanenitrile
CID 107865253
5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile (CID 103993401) is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCNC(C)(C)C(C)(C)O.
What is the InChIKey of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is JWGFWGAELAWOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2,9-13)7-8-14-11(3,4)12(5,6)15/h14-15H,7-8H2,1-6H3.
What are the key properties of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile?
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 103993401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).