2-(dipropylamino)propanenitrile

C9H18N2 — CID 12510989

IUPAC2-(dipropylamino)propanenitrile
SMILESCCCN(CCC)C(C)C#N
InChIInChI=1S/C9H18N2/c1-4-6-11(7-5-2)9(3)8-10/h9H,4-7H2,1-3H3
InChIKeyWYDOWUPFNHCRDD-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.02
Rot. Bonds5

About 2-(dipropylamino)propanenitrile

2-(dipropylamino)propanenitrile (PubChem CID 12510989) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(dipropylamino)propanenitrile.

Molecular Properties

Compound Name2-(dipropylamino)propanenitrile
PubChem CID12510989
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(dipropylamino)propanenitrile
SMILESCCCN(CCC)C(C)C#N
InChIInChI=1S/C9H18N2/c1-4-6-11(7-5-2)9(3)8-10/h9H,4-7H2,1-3H3
InChIKeyWYDOWUPFNHCRDD-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)propanenitrile?
The IUPAC name of 2-(dipropylamino)propanenitrile (CID 12510989) is 2-(dipropylamino)propanenitrile.
What is the SMILES notation for 2-(dipropylamino)propanenitrile?
The canonical SMILES for 2-(dipropylamino)propanenitrile is CCCN(CCC)C(C)C#N.
What is the InChIKey of 2-(dipropylamino)propanenitrile?
The InChIKey is WYDOWUPFNHCRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-11(7-5-2)9(3)8-10/h9H,4-7H2,1-3H3.
What are the key properties of 2-(dipropylamino)propanenitrile?
2-(dipropylamino)propanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)propanenitrile is sourced from PubChem (CID 12510989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).