4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile

C13H27N3 — CID 65248790

IUPAC4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
SMILESCCN(CC)CCCNCCC(C)(C)C#N
InChIInChI=1S/C13H27N3/c1-5-16(6-2)11-7-9-15-10-8-13(3,4)12-14/h15H,5-11H2,1-4H3
InChIKeyNYGNYZUIAOYZDN-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.25
Rot. Bonds9

About 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile

4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile (PubChem CID 65248790) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
PubChem CID65248790
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
SMILESCCN(CC)CCCNCCC(C)(C)C#N
InChIInChI=1S/C13H27N3/c1-5-16(6-2)11-7-9-15-10-8-13(3,4)12-14/h15H,5-11H2,1-4H3
InChIKeyNYGNYZUIAOYZDN-UHFFFAOYSA-N
XLogP2.25
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile (CID 65248790) is 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile is CCN(CC)CCCNCCC(C)(C)C#N.
What is the InChIKey of 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile?
The InChIKey is NYGNYZUIAOYZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-16(6-2)11-7-9-15-10-8-13(3,4)12-14/h15H,5-11H2,1-4H3.
What are the key properties of 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile?
4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65248790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).