2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine

C12H23N3 — CID 115694922

IUPAC2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
SMILESCCC(CC)(CC)CNCc1ncc[nH]1
InChIInChI=1S/C12H23N3/c1-4-12(5-2,6-3)10-13-9-11-14-7-8-15-11/h7-8,13H,4-6,9-10H2,1-3H3,(H,14,15)
InChIKeyUJVKYDIAOBQDAA-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.72
Rot. Bonds7

About 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine

2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine (PubChem CID 115694922) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
PubChem CID115694922
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
SMILESCCC(CC)(CC)CNCc1ncc[nH]1
InChIInChI=1S/C12H23N3/c1-4-12(5-2,6-3)10-13-9-11-14-7-8-15-11/h7-8,13H,4-6,9-10H2,1-3H3,(H,14,15)
InChIKeyUJVKYDIAOBQDAA-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102610018
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119126147
N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 119126131
2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119126099
3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 63226322
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
2-ethylsulfinyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 115632381

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine?
The IUPAC name of 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine (CID 115694922) is 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine is CCC(CC)(CC)CNCc1ncc[nH]1.
What is the InChIKey of 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine?
The InChIKey is UJVKYDIAOBQDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-12(5-2,6-3)10-13-9-11-14-7-8-15-11/h7-8,13H,4-6,9-10H2,1-3H3,(H,14,15).
What are the key properties of 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine?
2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 115694922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).