2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile

C12H25N3 — CID 61324357

IUPAC2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile
SMILESCCN(CC)CCNC(C#N)C(C)(C)C
InChIInChI=1S/C12H25N3/c1-6-15(7-2)9-8-14-11(10-13)12(3,4)5/h11,14H,6-9H2,1-5H3
InChIKeyYRBJZELGUAPJBL-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.86
Rot. Bonds6

About 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile

2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile (PubChem CID 61324357) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile
PubChem CID61324357
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile
SMILESCCN(CC)CCNC(C#N)C(C)(C)C
InChIInChI=1S/C12H25N3/c1-6-15(7-2)9-8-14-11(10-13)12(3,4)5/h11,14H,6-9H2,1-5H3
InChIKeyYRBJZELGUAPJBL-UHFFFAOYSA-N
XLogP1.86
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-2-(piperazin-1-yl)butanenitrile
CID 16227099
N,N'-Bis(3,3-dimethyl-2-butyl)-ethylenediamine
CID 469908
2-[2-(1-Cyanopropylamino)ethylamino]butanenitrile
CID 469951
(S)-N1,N1-Diethyl-3,3-dimethylbutane-1,2-diamine
CID 28108189
(2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine
CID 102199376
3-Methyl-2-(propan-2-ylamino)butanenitrile
CID 332394
(R)-N1,N1-Diethyl-3,3-dimethylbutane-1,2-diamine
CID 28108191
(1-Methyl-2-cyanoethyl)-1,4,8,11-tetraazacyclotetradecane
CID 129856831
(2S)-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522150
[(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium
CID 134966540
1-N-(2-amino-3,3-dimethylbutyl)-3,3-dimethylbutane-1,2-diamine
CID 135040342
(2S)-1-N-butyl-3,3-dimethylbutane-1,2-diamine
CID 176438755

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile (CID 61324357) is 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile is CCN(CC)CCNC(C#N)C(C)(C)C.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile?
The InChIKey is YRBJZELGUAPJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-6-15(7-2)9-8-14-11(10-13)12(3,4)5/h11,14H,6-9H2,1-5H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile?
2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile has a molecular weight of 211.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile is sourced from PubChem (CID 61324357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).