1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

C13H23N3 — CID 65232163

IUPAC1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C13H23N3/c1-11(12-5-3-2-4-6-12)15-8-7-13-9-14-10-16-13/h9-12,15H,2-8H2,1H3,(H,14,16)
InChIKeyQVCTZZVLGRCIRM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.51
Rot. Bonds5

About 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (PubChem CID 65232163) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
PubChem CID65232163
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C13H23N3/c1-11(12-5-3-2-4-6-12)15-8-7-13-9-14-10-16-13/h9-12,15H,2-8H2,1H3,(H,14,16)
InChIKeyQVCTZZVLGRCIRM-UHFFFAOYSA-N
XLogP2.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79539364
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249
2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65232162
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65230871
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65230583
N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
CID 65232388
(1R)-1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206944

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (CID 65232163) is 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is CC(NCCc1cnc[nH]1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The InChIKey is QVCTZZVLGRCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(12-5-3-2-4-6-12)15-8-7-13-9-14-10-16-13/h9-12,15H,2-8H2,1H3,(H,14,16).
What are the key properties of 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 65232163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).