3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol

C13H27NO2 — CID 165498158

IUPAC3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
SMILESCCOCCN(CC)C1CC(O)CCC1C
InChIInChI=1S/C13H27NO2/c1-4-14(8-9-16-5-2)13-10-12(15)7-6-11(13)3/h11-13,15H,4-10H2,1-3H3
InChIKeySWYKPNJZDWYANA-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.89
Rot. Bonds6

About 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol

3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol (PubChem CID 165498158) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
PubChem CID165498158
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
SMILESCCOCCN(CC)C1CC(O)CCC1C
InChIInChI=1S/C13H27NO2/c1-4-14(8-9-16-5-2)13-10-12(15)7-6-11(13)3/h11-13,15H,4-10H2,1-3H3
InChIKeySWYKPNJZDWYANA-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.89
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

2-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 55228468
2-[2-ethoxyethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751103
3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165496084
3-[bis(2-ethoxyethyl)amino]oxan-4-ol
CID 82960810
3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 165498234
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
CID 63697025
3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490881
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 165491668
2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile
CID 55226719
3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol
CID 165491780
2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
CID 63697377
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol?
The IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol (CID 165498158) is 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol?
The canonical SMILES for 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol is CCOCCN(CC)C1CC(O)CCC1C.
What is the InChIKey of 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol?
The InChIKey is SWYKPNJZDWYANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-14(8-9-16-5-2)13-10-12(15)7-6-11(13)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol?
3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 165498158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).