[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol

C14H29NO2 — CID 81074798

IUPAC[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
SMILESCCOCCN(C)CC1(CO)CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-4-17-9-8-15(3)11-14(12-16)7-5-6-13(2)10-14/h13,16H,4-12H2,1-3H3
InChIKeyNODURNYCEBRTMG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.14
Rot. Bonds7

About [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol

[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol (PubChem CID 81074798) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
PubChem CID81074798
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
SMILESCCOCCN(C)CC1(CO)CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-4-17-9-8-15(3)11-14(12-16)7-5-6-13(2)10-14/h13,16H,4-12H2,1-3H3
InChIKeyNODURNYCEBRTMG-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.14
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

[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
CID 81074444
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81063204
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292
[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 107871199
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
CID 81062701
2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol
CID 114243666
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 81074314
[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
CID 82941164
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 81073788
4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol
CID 113499916
2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol
CID 107487176
[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methanol
CID 81074081

Frequently Asked Questions

What is the IUPAC name of [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol (CID 81074798) is [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol is CCOCCN(C)CC1(CO)CCCC(C)C1.
What is the InChIKey of [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol?
The InChIKey is NODURNYCEBRTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-17-9-8-15(3)11-14(12-16)7-5-6-13(2)10-14/h13,16H,4-12H2,1-3H3.
What are the key properties of [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol?
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 81074798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).