3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile

C9H16N2O — CID 63296489

IUPAC3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNCC(O)C1CC1
InChIInChI=1S/C9H16N2O/c1-7(4-10)5-11-6-9(12)8-2-3-8/h7-9,11-12H,2-3,5-6H2,1H3
InChIKeyDVXUXDOKMMASSZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.51
Rot. Bonds5

About 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile

3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile (PubChem CID 63296489) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile
PubChem CID63296489
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNCC(O)C1CC1
InChIInChI=1S/C9H16N2O/c1-7(4-10)5-11-6-9(12)8-2-3-8/h7-9,11-12H,2-3,5-6H2,1H3
InChIKeyDVXUXDOKMMASSZ-UHFFFAOYSA-N
XLogP0.51
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078
3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile
CID 63296355
3-[(2-cyclopropyl-2-hydroxyethyl)amino]butanenitrile
CID 63296171
1-cyclopropyl-2-(2,2-difluoroethylamino)ethanol
CID 63298404
2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile
CID 63243535
1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol
CID 81094787
1-cyclopropyl-2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]ethanol
CID 63296177
3-[(4-tert-butylcyclohexyl)methylamino]-2-methylpropanenitrile
CID 113428492
3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile
CID 64910976
3-(2-hydroxyethylamino)-2-methylpropanenitrile
CID 43389830
2-(cyclobutylmethylamino)-1-cyclopropylethanol
CID 65458042
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 103251562

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile (CID 63296489) is 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile is CC(C#N)CNCC(O)C1CC1.
What is the InChIKey of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile?
The InChIKey is DVXUXDOKMMASSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(4-10)5-11-6-9(12)8-2-3-8/h7-9,11-12H,2-3,5-6H2,1H3.
What are the key properties of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile?
3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile has a molecular weight of 168.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 63296489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).