2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine

C14H25N3 — CID 55064443

IUPAC2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCn1ccnc1CNCCC1CCCCC1
InChIInChI=1S/C14H25N3/c1-2-17-11-10-16-14(17)12-15-9-8-13-6-4-3-5-7-13/h10-11,13,15H,2-9,12H2,1H3
InChIKeyAONVIFLKFWFOOI-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.96
Rot. Bonds6

About 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine

2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine (PubChem CID 55064443) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
PubChem CID55064443
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCn1ccnc1CNCCC1CCCCC1
InChIInChI=1S/C14H25N3/c1-2-17-11-10-16-14(17)12-15-9-8-13-6-4-3-5-7-13/h10-11,13,15H,2-9,12H2,1H3
InChIKeyAONVIFLKFWFOOI-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126176
N-cyclopentyloxy-1-(1-ethylimidazol-2-yl)methanamine
CID 83229115
2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66135055
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114191659
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 115690184
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine (CID 55064443) is 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine is CCn1ccnc1CNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is AONVIFLKFWFOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-17-11-10-16-14(17)12-15-9-8-13-6-4-3-5-7-13/h10-11,13,15H,2-9,12H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine?
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 55064443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).