2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile

C16H25N3 — CID 54889345

IUPAC2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccc(C)cc1C
InChIInChI=1S/C16H25N3/c1-5-19(6-2)10-9-18-16(12-17)15-8-7-13(3)11-14(15)4/h7-8,11,16,18H,5-6,9-10H2,1-4H3
InChIKeyXGEYVVMPFBPAJS-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.80
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile

2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile (PubChem CID 54889345) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
PubChem CID54889345
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccc(C)cc1C
InChIInChI=1S/C16H25N3/c1-5-19(6-2)10-9-18-16(12-17)15-8-7-13(3)11-14(15)4/h7-8,11,16,18H,5-6,9-10H2,1-4H3
InChIKeyXGEYVVMPFBPAJS-UHFFFAOYSA-N
XLogP2.80
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889435
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
2-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54892774
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889441
2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
CID 60997224
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
2-(4-bromothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetonitrile
CID 61347182
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65384194
3-amino-2-(2,4-dimethylphenyl)propanenitrile
CID 82503365
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile (CID 54889345) is 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile is CCN(CC)CCNC(C#N)c1ccc(C)cc1C.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile?
The InChIKey is XGEYVVMPFBPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-19(6-2)10-9-18-16(12-17)15-8-7-13(3)11-14(15)4/h7-8,11,16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile?
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile has a molecular weight of 259.40 g/mol, XLogP of 2.80, 7 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-(2,4-dimethylphenyl)acetonitrile is sourced from PubChem (CID 54889345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).