N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine

C15H29N3 — CID 65172513

IUPACN-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCCCC(CC)Cn1c(CNCC)cnc1C
InChIInChI=1S/C15H29N3/c1-5-8-9-14(6-2)12-18-13(4)17-11-15(18)10-16-7-3/h11,14,16H,5-10,12H2,1-4H3
InChIKeyCPRPDXNQHCPSLX-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.52
Rot. Bonds9

About N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine

N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine (PubChem CID 65172513) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine
PubChem CID65172513
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCCCC(CC)Cn1c(CNCC)cnc1C
InChIInChI=1S/C15H29N3/c1-5-8-9-14(6-2)12-18-13(4)17-11-15(18)10-16-7-3/h11,14,16H,5-10,12H2,1-4H3
InChIKeyCPRPDXNQHCPSLX-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylhexyl)-2-methylimidazole-4-carboxylic acid
CID 65172481
N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine
CID 106718676
N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
CID 65173134
N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 65173082
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
CID 66193513
N-(2-ethylhexyl)-5-methylpyrimidin-2-amine
CID 107816474
N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine
CID 114192847
N-[[3-[(2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 114934374
N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
CID 65173232
N-[[3-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 106272907
N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 82924721
N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172672

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine (CID 65172513) is N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine is CCCCC(CC)Cn1c(CNCC)cnc1C.
What is the InChIKey of N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine?
The InChIKey is CPRPDXNQHCPSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-8-9-14(6-2)12-18-13(4)17-11-15(18)10-16-7-3/h11,14,16H,5-10,12H2,1-4H3.
What are the key properties of N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine?
N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine has a molecular weight of 251.42 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65172513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).