(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol

C15H26N2O2 — CID 116756208

IUPAC(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCOC1(C(O)c2nccn2CC)CCCCCC1
InChIInChI=1S/C15H26N2O2/c1-3-17-12-11-16-14(17)13(18)15(19-4-2)9-7-5-6-8-10-15/h11-13,18H,3-10H2,1-2H3
InChIKeyXCGBNGFKLGYGNU-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.07
Rot. Bonds5

About (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol

(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol (PubChem CID 116756208) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol
PubChem CID116756208
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCOC1(C(O)c2nccn2CC)CCCCCC1
InChIInChI=1S/C15H26N2O2/c1-3-17-12-11-16-14(17)13(18)15(19-4-2)9-7-5-6-8-10-15/h11-13,18H,3-10H2,1-2H3
InChIKeyXCGBNGFKLGYGNU-UHFFFAOYSA-N
XLogP3.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylimidazol-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753476
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclohexyl)ethanol
CID 116753292
1-(1-ethylimidazol-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103560119
(1-ethoxycyclohexyl)-(1-ethylpyrazol-4-yl)methanol
CID 116753795
N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 116770958
[(1-ethoxycyclohexyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105276310
N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 116762441
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529884
N-[(4-ethoxyoxan-4-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 116765818
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
CID 116753647
1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 116763883

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol?
The IUPAC name of (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol (CID 116756208) is (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol.
What is the SMILES notation for (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol?
The canonical SMILES for (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol is CCOC1(C(O)c2nccn2CC)CCCCCC1.
What is the InChIKey of (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol?
The InChIKey is XCGBNGFKLGYGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-17-12-11-16-14(17)13(18)15(19-4-2)9-7-5-6-8-10-15/h11-13,18H,3-10H2,1-2H3.
What are the key properties of (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol?
(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol has a molecular weight of 266.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol is sourced from PubChem (CID 116756208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).