3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile

C10H20N2O — CID 114493790

IUPAC3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile
SMILESCCC(C)(O)CN(C)CC(C)C#N
InChIInChI=1S/C10H20N2O/c1-5-10(3,13)8-12(4)7-9(2)6-11/h9,13H,5,7-8H2,1-4H3
InChIKeyCDMYZKVWMHTGAH-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.24
Rot. Bonds5

About 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile

3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile (PubChem CID 114493790) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile
PubChem CID114493790
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile
SMILESCCC(C)(O)CN(C)CC(C)C#N
InChIInChI=1S/C10H20N2O/c1-5-10(3,13)8-12(4)7-9(2)6-11/h9,13H,5,7-8H2,1-4H3
InChIKeyCDMYZKVWMHTGAH-UHFFFAOYSA-N
XLogP1.24
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-[methyl(3-methylbutyl)amino]propan-2-ol
CID 59059214
1-[Ethyl(methyl)amino]-2-methylbutan-2-ol
CID 87905540
1-(Diethylamino)-2-methylbutan-2-ol
CID 104549841
3-Hydroxy-1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 131441255
1-(Dimethylamino)-2,3-dimethylbutan-2-ol;ethane
CID 177338815
1-[Ethyl-(2-hydroxy-2-methylbutyl)amino]-2-methylbutan-2-ol
CID 177705746
1-(Dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol
CID 20833887
1-(Dimethylamino)-2,3-dimethylbutan-2-ol
CID 58881640
2-Methyl-1-[methyl(2-methylbutyl)amino]propan-2-ol
CID 60886110
3-[(2-Hydroxy-2-methylpropyl)-methylamino]propanenitrile
CID 60886506
3-[Ethyl-(2-hydroxy-2-methylpropyl)amino]propanenitrile
CID 61575984
3-[Ethyl(2-hydroxybutyl)amino]-2-methylpropanenitrile
CID 61577105

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile (CID 114493790) is 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile is CCC(C)(O)CN(C)CC(C)C#N.
What is the InChIKey of 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile?
The InChIKey is CDMYZKVWMHTGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-10(3,13)8-12(4)7-9(2)6-11/h9,13H,5,7-8H2,1-4H3.
What are the key properties of 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile?
3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 114493790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).