2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile

C12H25N3 — CID 61005347

IUPAC2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
SMILESCCN(CC)CCNC(C#N)CC(C)C
InChIInChI=1S/C12H25N3/c1-5-15(6-2)8-7-14-12(10-13)9-11(3)4/h11-12,14H,5-9H2,1-4H3
InChIKeyWDSOYBDYBKBPDW-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.86
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile

2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile (PubChem CID 61005347) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
PubChem CID61005347
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
SMILESCCN(CC)CCNC(C#N)CC(C)C
InChIInChI=1S/C12H25N3/c1-5-15(6-2)8-7-14-12(10-13)9-11(3)4/h11-12,14H,5-9H2,1-4H3
InChIKeyWDSOYBDYBKBPDW-UHFFFAOYSA-N
XLogP1.86
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylamino]-4,4-dimethoxybutanenitrile
CID 66270526
3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide
CID 66432290
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile
CID 61324357
2-[2-(diethylamino)ethylamino]-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66432333
2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
CID 62636607
4-[bis(3-methylbutyl)amino]-2-(propylamino)butanenitrile
CID 107870915
4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile
CID 79481322
2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile
CID 62071768
1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine
CID 79086942
2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile
CID 66270339
2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
CID 61005955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile (CID 61005347) is 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile is CCN(CC)CCNC(C#N)CC(C)C.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile?
The InChIKey is WDSOYBDYBKBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-15(6-2)8-7-14-12(10-13)9-11(3)4/h11-12,14H,5-9H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile?
2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile has a molecular weight of 211.35 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile is sourced from PubChem (CID 61005347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).