N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine

C12H23N3 — CID 65172516

IUPACN-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1CC(C)CC
InChIInChI=1S/C12H23N3/c1-5-10(3)9-15-11(4)14-8-12(15)7-13-6-2/h8,10,13H,5-7,9H2,1-4H3
InChIKeyHUTIOFZPYAMKJK-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.35
Rot. Bonds6

About N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine

N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 65172516) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine
PubChem CID65172516
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1CC(C)CC
InChIInChI=1S/C12H23N3/c1-5-10(3)9-15-11(4)14-8-12(15)7-13-6-2/h8,10,13H,5-7,9H2,1-4H3
InChIKeyHUTIOFZPYAMKJK-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine (CID 65172516) is N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cnc(C)n1CC(C)CC.
What is the InChIKey of N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is HUTIOFZPYAMKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-10(3)9-15-11(4)14-8-12(15)7-13-6-2/h8,10,13H,5-7,9H2,1-4H3.
What are the key properties of N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine?
N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 209.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65172516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).