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

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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).