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

C13H27N3 — CID 61005954

IUPAC2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)NCCN(CC)CC
InChIInChI=1S/C13H27N3/c1-6-12(4)13(5,11-14)15-9-10-16(7-2)8-3/h12,15H,6-10H2,1-5H3
InChIKeyMDLVXFPXDMYQBJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.25
Rot. Bonds8

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

2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile (PubChem CID 61005954) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile
PubChem CID61005954
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)NCCN(CC)CC
InChIInChI=1S/C13H27N3/c1-6-12(4)13(5,11-14)15-9-10-16(7-2)8-3/h12,15H,6-10H2,1-5H3
InChIKeyMDLVXFPXDMYQBJ-UHFFFAOYSA-N
XLogP2.25
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile
CID 62586061
2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile
CID 62354448
2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
CID 61005955
2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile
CID 60915967
2-(benzylamino)-2,3-dimethylpentanenitrile
CID 61006364
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile
CID 61324357
N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine
CID 107913963
5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 102996424
2-(4-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanenitrile
CID 82967784
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
CID 61005347

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile (CID 61005954) is 2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile is CCC(C)C(C)(C#N)NCCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile?
The InChIKey is MDLVXFPXDMYQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-12(4)13(5,11-14)15-9-10-16(7-2)8-3/h12,15H,6-10H2,1-5H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile?
2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.25, 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]-2,3-dimethylpentanenitrile is sourced from PubChem (CID 61005954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).