6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile

C14H24N4 — CID 106713533

IUPAC6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile
SMILESCCNCc1nccn1CCCCC(C)(C)C#N
InChIInChI=1S/C14H24N4/c1-4-16-11-13-17-8-10-18(13)9-6-5-7-14(2,3)12-15/h8,10,16H,4-7,9,11H2,1-3H3
InChIKeyOYAAIJARVFKMED-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds8

About 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile

6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile (PubChem CID 106713533) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile
PubChem CID106713533
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile
SMILESCCNCc1nccn1CCCCC(C)(C)C#N
InChIInChI=1S/C14H24N4/c1-4-16-11-13-17-8-10-18(13)9-6-5-7-14(2,3)12-15/h8,10,16H,4-7,9,11H2,1-3H3
InChIKeyOYAAIJARVFKMED-UHFFFAOYSA-N
XLogP2.71
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile
CID 65255371
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
CID 65255231
2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
CID 66402687
4-[2-[(tert-butylamino)methyl]imidazol-1-yl]butanenitrile
CID 62221300
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 106455233
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66403383
2-[2-[2-(ethylaminomethyl)imidazol-1-yl]ethoxy]ethanol
CID 62221793
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804

Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile (CID 106713533) is 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile is CCNCc1nccn1CCCCC(C)(C)C#N.
What is the InChIKey of 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile?
The InChIKey is OYAAIJARVFKMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-16-11-13-17-8-10-18(13)9-6-5-7-14(2,3)12-15/h8,10,16H,4-7,9,11H2,1-3H3.
What are the key properties of 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile?
6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile has a molecular weight of 248.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106713533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).