3-[ethyl(methyl)amino]propanenitrile

C6H12N2 — CID 551592

IUPAC3-[ethyl(methyl)amino]propanenitrile
SMILESCCN(C)CCC#N
InChIInChI=1S/C6H12N2/c1-3-8(2)6-4-5-7/h3-4,6H2,1-2H3
InChIKeyXDZSWBPZWOQXCQ-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.85
Rot. Bonds3

About 3-[ethyl(methyl)amino]propanenitrile

3-[ethyl(methyl)amino]propanenitrile (PubChem CID 551592) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]propanenitrile
PubChem CID551592
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-[ethyl(methyl)amino]propanenitrile
SMILESCCN(C)CCC#N
InChIInChI=1S/C6H12N2/c1-3-8(2)6-4-5-7/h3-4,6H2,1-2H3
InChIKeyXDZSWBPZWOQXCQ-UHFFFAOYSA-N
XLogP0.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]propanenitrile?
The IUPAC name of 3-[ethyl(methyl)amino]propanenitrile (CID 551592) is 3-[ethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl(methyl)amino]propanenitrile is CCN(C)CCC#N.
What is the InChIKey of 3-[ethyl(methyl)amino]propanenitrile?
The InChIKey is XDZSWBPZWOQXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-8(2)6-4-5-7/h3-4,6H2,1-2H3.
What are the key properties of 3-[ethyl(methyl)amino]propanenitrile?
3-[ethyl(methyl)amino]propanenitrile has a molecular weight of 112.18 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]propanenitrile is sourced from PubChem (CID 551592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).