2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile

C14H24N4 — CID 66402687

IUPAC2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
SMILESCC(C)CNCc1nccn1CCC(C)(C)C#N
InChIInChI=1S/C14H24N4/c1-12(2)9-16-10-13-17-6-8-18(13)7-5-14(3,4)11-15/h6,8,12,16H,5,7,9-10H2,1-4H3
InChIKeyJDQJGGFDEXFVLD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds7

About 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile

2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile (PubChem CID 66402687) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
PubChem CID66402687
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
SMILESCC(C)CNCc1nccn1CCC(C)(C)C#N
InChIInChI=1S/C14H24N4/c1-12(2)9-16-10-13-17-6-8-18(13)7-5-14(3,4)11-15/h6,8,12,16H,5,7,9-10H2,1-4H3
InChIKeyJDQJGGFDEXFVLD-UHFFFAOYSA-N
XLogP2.57
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
CID 79356035
5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile
CID 65255371
6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile
CID 106713533
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114191659
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]methyl]propan-1-amine
CID 66400727
2,2-dimethyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanenitrile
CID 66404601
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
CID 65255231
2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717713
2-methyl-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66401706
4-fluoro-3-[[2-[(2-methylpropylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66402493

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile (CID 66402687) is 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile is CC(C)CNCc1nccn1CCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile?
The InChIKey is JDQJGGFDEXFVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12(2)9-16-10-13-17-6-8-18(13)7-5-14(3,4)11-15/h6,8,12,16H,5,7,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile?
2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile has a molecular weight of 248.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile is sourced from PubChem (CID 66402687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).