[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol

C16H33NO2 — CID 79640189

IUPAC[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol
SMILESCCCCC(CC)COC1CCCC(CO)(NC)C1
InChIInChI=1S/C16H33NO2/c1-4-6-8-14(5-2)12-19-15-9-7-10-16(11-15,13-18)17-3/h14-15,17-18H,4-13H2,1-3H3
InChIKeyOVXXHXQKRZLFHO-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.11
Rot. Bonds9

About [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol

[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol (PubChem CID 79640189) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol
PubChem CID79640189
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol
SMILESCCCCC(CC)COC1CCCC(CO)(NC)C1
InChIInChI=1S/C16H33NO2/c1-4-6-8-14(5-2)12-19-15-9-7-10-16(11-15,13-18)17-3/h14-15,17-18H,4-13H2,1-3H3
InChIKeyOVXXHXQKRZLFHO-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylhexoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79638073
[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640574
ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79646983
[1-(ethylamino)-3-(2-methylpropoxy)cyclohexyl]methanol
CID 79640982
[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608
[3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol
CID 104567748
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate
CID 79646979
3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356819
methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate
CID 114208559
[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646271
[(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol
CID 126614766

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol (CID 79640189) is [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol is CCCCC(CC)COC1CCCC(CO)(NC)C1.
What is the InChIKey of [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol?
The InChIKey is OVXXHXQKRZLFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-6-8-14(5-2)12-19-15-9-7-10-16(11-15,13-18)17-3/h14-15,17-18H,4-13H2,1-3H3.
What are the key properties of [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol?
[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol has a molecular weight of 271.44 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).