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

C14H21N3 — CID 54889435

IUPAC2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NCCN(C)C)c(C)c1
InChIInChI=1S/C14H21N3/c1-11-5-6-13(12(2)9-11)14(10-15)16-7-8-17(3)4/h5-6,9,14,16H,7-8H2,1-4H3
InChIKeyCIOATRYRYSRATG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.02
Rot. Bonds5

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

2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile (PubChem CID 54889435) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
PubChem CID54889435
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NCCN(C)C)c(C)c1
InChIInChI=1S/C14H21N3/c1-11-5-6-13(12(2)9-11)14(10-15)16-7-8-17(3)4/h5-6,9,14,16H,7-8H2,1-4H3
InChIKeyCIOATRYRYSRATG-UHFFFAOYSA-N
XLogP2.02
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889345
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
2-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54892774
2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
CID 60997224
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82313474
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid
CID 54895272
2-[cyano-[2-(dimethylamino)ethylamino]methyl]benzonitrile
CID 114017997
2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889204
2-[3-(dimethylamino)propylamino]-2-(4-methylphenyl)acetonitrile
CID 112500742
2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
CID 61346756

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile (CID 54889435) is 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile is Cc1ccc(C(C#N)NCCN(C)C)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile?
The InChIKey is CIOATRYRYSRATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-5-6-13(12(2)9-11)14(10-15)16-7-8-17(3)4/h5-6,9,14,16H,7-8H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile?
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile is sourced from PubChem (CID 54889435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).