3-[ethyl(propyl)amino]propanenitrile

C8H16N2 — CID 574065

IUPAC3-[ethyl(propyl)amino]propanenitrile
SMILESCCCN(CC)CCC#N
InChIInChI=1S/C8H16N2/c1-3-7-10(4-2)8-5-6-9/h3-5,7-8H2,1-2H3
InChIKeyXDBIRHORXBIDLP-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.63
Rot. Bonds5

About 3-[ethyl(propyl)amino]propanenitrile

3-[ethyl(propyl)amino]propanenitrile (PubChem CID 574065) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]propanenitrile
PubChem CID574065
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-[ethyl(propyl)amino]propanenitrile
SMILESCCCN(CC)CCC#N
InChIInChI=1S/C8H16N2/c1-3-7-10(4-2)8-5-6-9/h3-5,7-8H2,1-2H3
InChIKeyXDBIRHORXBIDLP-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]propanenitrile?
The IUPAC name of 3-[ethyl(propyl)amino]propanenitrile (CID 574065) is 3-[ethyl(propyl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl(propyl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl(propyl)amino]propanenitrile is CCCN(CC)CCC#N.
What is the InChIKey of 3-[ethyl(propyl)amino]propanenitrile?
The InChIKey is XDBIRHORXBIDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-7-10(4-2)8-5-6-9/h3-5,7-8H2,1-2H3.
What are the key properties of 3-[ethyl(propyl)amino]propanenitrile?
3-[ethyl(propyl)amino]propanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]propanenitrile is sourced from PubChem (CID 574065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).