2-[ethyl(2-hydroxypropyl)amino]propanenitrile

C8H16N2O — CID 131211886

IUPAC2-[ethyl(2-hydroxypropyl)amino]propanenitrile
SMILESCCN(CC(C)O)C(C)C#N
InChIInChI=1S/C8H16N2O/c1-4-10(6-8(3)11)7(2)5-9/h7-8,11H,4,6H2,1-3H3
InChIKeyMKEFJOBLMGCSLY-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.60
Rot. Bonds4

About 2-[ethyl(2-hydroxypropyl)amino]propanenitrile

2-[ethyl(2-hydroxypropyl)amino]propanenitrile (PubChem CID 131211886) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxypropyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[ethyl(2-hydroxypropyl)amino]propanenitrile
PubChem CID131211886
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[ethyl(2-hydroxypropyl)amino]propanenitrile
SMILESCCN(CC(C)O)C(C)C#N
InChIInChI=1S/C8H16N2O/c1-4-10(6-8(3)11)7(2)5-9/h7-8,11H,4,6H2,1-3H3
InChIKeyMKEFJOBLMGCSLY-UHFFFAOYSA-N
XLogP0.60
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
2-[3-(dimethylamino)propyl-ethylamino]propanenitrile
CID 102993262
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103188911
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
N-(1-cyanoethyl)-N,3-dimethylpentanamide
CID 114874733
2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile
CID 79717369
2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile
CID 106932699
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
1-[2-(dimethylamino)propyl-ethylamino]ethanol
CID 174917779
2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide
CID 62335459
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxypropyl)amino]propanenitrile?
The IUPAC name of 2-[ethyl(2-hydroxypropyl)amino]propanenitrile (CID 131211886) is 2-[ethyl(2-hydroxypropyl)amino]propanenitrile.
What is the SMILES notation for 2-[ethyl(2-hydroxypropyl)amino]propanenitrile?
The canonical SMILES for 2-[ethyl(2-hydroxypropyl)amino]propanenitrile is CCN(CC(C)O)C(C)C#N.
What is the InChIKey of 2-[ethyl(2-hydroxypropyl)amino]propanenitrile?
The InChIKey is MKEFJOBLMGCSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-10(6-8(3)11)7(2)5-9/h7-8,11H,4,6H2,1-3H3.
What are the key properties of 2-[ethyl(2-hydroxypropyl)amino]propanenitrile?
2-[ethyl(2-hydroxypropyl)amino]propanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxypropyl)amino]propanenitrile is sourced from PubChem (CID 131211886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).