(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine

C13H23N3 — CID 104943270

IUPAC(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine
SMILESCCC1CCCC(n2cncc2[C@H](C)N)C1
InChIInChI=1S/C13H23N3/c1-3-11-5-4-6-12(7-11)16-9-15-8-13(16)10(2)14/h8-12H,3-7,14H2,1-2H3/t10-,11?,12?/m0/s1
InChIKeyPICNOJXGAKKWSA-UNXYVOJBSA-N
MW221.35 g/mol
LogP3.04
Rot. Bonds3

About (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine (PubChem CID 104943270) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine
PubChem CID104943270
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine
SMILESCCC1CCCC(n2cncc2[C@H](C)N)C1
InChIInChI=1S/C13H23N3/c1-3-11-5-4-6-12(7-11)16-9-15-8-13(16)10(2)14/h8-12H,3-7,14H2,1-2H3/t10-,11?,12?/m0/s1
InChIKeyPICNOJXGAKKWSA-UNXYVOJBSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine (CID 104943270) is (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine is CCC1CCCC(n2cncc2[C@H](C)N)C1.
What is the InChIKey of (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine?
The InChIKey is PICNOJXGAKKWSA-UNXYVOJBSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11-5-4-6-12(7-11)16-9-15-8-13(16)10(2)14/h8-12H,3-7,14H2,1-2H3/t10-,11?,12?/m0/s1.
What are the key properties of (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).