3-[bis[3-(dimethylamino)propyl]amino]propanenitrile

C13H28N4 — CID 547296

IUPAC3-[bis[3-(dimethylamino)propyl]amino]propanenitrile
SMILESCN(C)CCCN(CCC#N)CCCN(C)C
InChIInChI=1S/C13H28N4/c1-15(2)9-6-12-17(11-5-8-14)13-7-10-16(3)4/h5-7,9-13H2,1-4H3
InChIKeyWAJVSONFDQROAZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.11
Rot. Bonds10

About 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile

3-[bis[3-(dimethylamino)propyl]amino]propanenitrile (PubChem CID 547296) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[bis[3-(dimethylamino)propyl]amino]propanenitrile
PubChem CID547296
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name3-[bis[3-(dimethylamino)propyl]amino]propanenitrile
SMILESCN(C)CCCN(CCC#N)CCCN(C)C
InChIInChI=1S/C13H28N4/c1-15(2)9-6-12-17(11-5-8-14)13-7-10-16(3)4/h5-7,9-13H2,1-4H3
InChIKeyWAJVSONFDQROAZ-UHFFFAOYSA-N
XLogP1.11
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile?
The IUPAC name of 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile (CID 547296) is 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile.
What is the SMILES notation for 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile?
The canonical SMILES for 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile is CN(C)CCCN(CCC#N)CCCN(C)C.
What is the InChIKey of 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile?
The InChIKey is WAJVSONFDQROAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-15(2)9-6-12-17(11-5-8-14)13-7-10-16(3)4/h5-7,9-13H2,1-4H3.
What are the key properties of 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile?
3-[bis[3-(dimethylamino)propyl]amino]propanenitrile has a molecular weight of 240.39 g/mol, XLogP of 1.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile is sourced from PubChem (CID 547296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).