3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile

C12H22N2O — CID 62052627

IUPAC3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile
SMILESCC(=O)CCCN(CCC#N)CC(C)C
InChIInChI=1S/C12H22N2O/c1-11(2)10-14(9-5-7-13)8-4-6-12(3)15/h11H,4-6,8-10H2,1-3H3
InChIKeyIYYPEZHEGZYYBY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.23
Rot. Bonds8

About 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile

3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile (PubChem CID 62052627) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile
PubChem CID62052627
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile
SMILESCC(=O)CCCN(CCC#N)CC(C)C
InChIInChI=1S/C12H22N2O/c1-11(2)10-14(9-5-7-13)8-4-6-12(3)15/h11H,4-6,8-10H2,1-3H3
InChIKeyIYYPEZHEGZYYBY-UHFFFAOYSA-N
XLogP2.23
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile (CID 62052627) is 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile is CC(=O)CCCN(CCC#N)CC(C)C.
What is the InChIKey of 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile?
The InChIKey is IYYPEZHEGZYYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)10-14(9-5-7-13)8-4-6-12(3)15/h11H,4-6,8-10H2,1-3H3.
What are the key properties of 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile?
3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile is sourced from PubChem (CID 62052627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).