2-(dipropylamino)propanedinitrile

C9H15N3 — CID 122386061

IUPAC2-(dipropylamino)propanedinitrile
SMILESCCCN(CCC)C(C#N)C#N
InChIInChI=1S/C9H15N3/c1-3-5-12(6-4-2)9(7-10)8-11/h9H,3-6H2,1-2H3
InChIKeyRTDNUQHBTVYJHX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.52
Rot. Bonds5

About 2-(dipropylamino)propanedinitrile

2-(dipropylamino)propanedinitrile (PubChem CID 122386061) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(dipropylamino)propanedinitrile.

Molecular Properties

Compound Name2-(dipropylamino)propanedinitrile
PubChem CID122386061
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-(dipropylamino)propanedinitrile
SMILESCCCN(CCC)C(C#N)C#N
InChIInChI=1S/C9H15N3/c1-3-5-12(6-4-2)9(7-10)8-11/h9H,3-6H2,1-2H3
InChIKeyRTDNUQHBTVYJHX-UHFFFAOYSA-N
XLogP1.52
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)propanedinitrile?
The IUPAC name of 2-(dipropylamino)propanedinitrile (CID 122386061) is 2-(dipropylamino)propanedinitrile.
What is the SMILES notation for 2-(dipropylamino)propanedinitrile?
The canonical SMILES for 2-(dipropylamino)propanedinitrile is CCCN(CCC)C(C#N)C#N.
What is the InChIKey of 2-(dipropylamino)propanedinitrile?
The InChIKey is RTDNUQHBTVYJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-5-12(6-4-2)9(7-10)8-11/h9H,3-6H2,1-2H3.
What are the key properties of 2-(dipropylamino)propanedinitrile?
2-(dipropylamino)propanedinitrile has a molecular weight of 165.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)propanedinitrile is sourced from PubChem (CID 122386061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).