3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile

C11H20N2O — CID 60660197

IUPAC3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile
SMILESCC(=O)CCN(CCC#N)CC(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)9-13(7-4-6-12)8-5-11(3)14/h10H,4-5,7-9H2,1-3H3
InChIKeyNPKGPUNNYZVQDN-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds7

About 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile

3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile (PubChem CID 60660197) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile
PubChem CID60660197
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile
SMILESCC(=O)CCN(CCC#N)CC(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)9-13(7-4-6-12)8-5-11(3)14/h10H,4-5,7-9H2,1-3H3
InChIKeyNPKGPUNNYZVQDN-UHFFFAOYSA-N
XLogP1.84
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile (CID 60660197) is 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile is CC(=O)CCN(CCC#N)CC(C)C.
What is the InChIKey of 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile?
The InChIKey is NPKGPUNNYZVQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)9-13(7-4-6-12)8-5-11(3)14/h10H,4-5,7-9H2,1-3H3.
What are the key properties of 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile?
3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(3-oxobutyl)amino]propanenitrile is sourced from PubChem (CID 60660197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).