N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine

C14H27N3 — CID 106718676

IUPACN-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine
SMILESCCCCC(CC)Cn1cnc(CNCC)c1
InChIInChI=1S/C14H27N3/c1-4-7-8-13(5-2)10-17-11-14(16-12-17)9-15-6-3/h11-13,15H,4-10H2,1-3H3
InChIKeyVLBYDUHTCCGRRW-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds9

About N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine

N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 106718676) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine
PubChem CID106718676
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine
SMILESCCCCC(CC)Cn1cnc(CNCC)c1
InChIInChI=1S/C14H27N3/c1-4-7-8-13(5-2)10-17-11-14(16-12-17)9-15-6-3/h11-13,15H,4-10H2,1-3H3
InChIKeyVLBYDUHTCCGRRW-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine
CID 107815854
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
CID 66193513
3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
CID 106718572
N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172513
3-[4-(propylaminomethyl)imidazol-1-yl]propane-1,2-diol
CID 106719229
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine
CID 106718313
N-ethyl-2-[1-(2-methylbutyl)imidazol-4-yl]ethanamine
CID 79984937
N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
CID 106718661
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876
N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718905
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718824

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine (CID 106718676) is N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine is CCCCC(CC)Cn1cnc(CNCC)c1.
What is the InChIKey of N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is VLBYDUHTCCGRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-7-8-13(5-2)10-17-11-14(16-12-17)9-15-6-3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine?
N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).