5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile

C13H22N4 — CID 65255371

IUPAC5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile
SMILESCCNCc1nccn1CCCC(C)(C)C#N
InChIInChI=1S/C13H22N4/c1-4-15-10-12-16-7-9-17(12)8-5-6-13(2,3)11-14/h7,9,15H,4-6,8,10H2,1-3H3
InChIKeyAMQLGWKIULODRV-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.32
Rot. Bonds7

About 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile

5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 65255371) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile
PubChem CID65255371
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile
SMILESCCNCc1nccn1CCCC(C)(C)C#N
InChIInChI=1S/C13H22N4/c1-4-15-10-12-16-7-9-17(12)8-5-6-13(2,3)11-14/h7,9,15H,4-6,8,10H2,1-3H3
InChIKeyAMQLGWKIULODRV-UHFFFAOYSA-N
XLogP2.32
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile
CID 106713533
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
CID 65255231
2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
CID 66402687
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66403383
4-[2-[(tert-butylamino)methyl]imidazol-1-yl]butanenitrile
CID 62221300
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 106455233
2-[2-[2-(ethylaminomethyl)imidazol-1-yl]ethoxy]ethanol
CID 62221793
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile (CID 65255371) is 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile is CCNCc1nccn1CCCC(C)(C)C#N.
What is the InChIKey of 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is AMQLGWKIULODRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-15-10-12-16-7-9-17(12)8-5-6-13(2,3)11-14/h7,9,15H,4-6,8,10H2,1-3H3.
What are the key properties of 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile?
5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 234.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65255371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).