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

C10H18N2O — CID 60649768

IUPAC3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile
SMILESCC(=O)CN(CCC#N)CC(C)C
InChIInChI=1S/C10H18N2O/c1-9(2)7-12(6-4-5-11)8-10(3)13/h9H,4,6-8H2,1-3H3
InChIKeyXEAZTRJAPXAZEM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds6

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

3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile (PubChem CID 60649768) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile
PubChem CID60649768
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile
SMILESCC(=O)CN(CCC#N)CC(C)C
InChIInChI=1S/C10H18N2O/c1-9(2)7-12(6-4-5-11)8-10(3)13/h9H,4,6-8H2,1-3H3
InChIKeyXEAZTRJAPXAZEM-UHFFFAOYSA-N
XLogP1.45
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile (CID 60649768) is 3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile is CC(=O)CN(CCC#N)CC(C)C.
What is the InChIKey of 3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile?
The InChIKey is XEAZTRJAPXAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)7-12(6-4-5-11)8-10(3)13/h9H,4,6-8H2,1-3H3.
What are the key properties of 3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile?
3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(2-oxopropyl)amino]propanenitrile is sourced from PubChem (CID 60649768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).