4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol

C15H31NO3 — CID 103179102

IUPAC4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCCOCCCOC)CC1
InChIInChI=1S/C15H31NO3/c1-3-14-5-7-15(17,8-6-14)13-16-9-12-19-11-4-10-18-2/h14,16-17H,3-13H2,1-2H3
InChIKeyUTEQNKMLFKCBHI-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.96
Rot. Bonds10

About 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol

4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 103179102) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
PubChem CID103179102
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCCOCCCOC)CC1
InChIInChI=1S/C15H31NO3/c1-3-14-5-7-15(17,8-6-14)13-16-9-12-19-11-4-10-18-2/h14,16-17H,3-13H2,1-2H3
InChIKeyUTEQNKMLFKCBHI-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
CID 65118737
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
1-[(2-butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781
2-[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopropyl]ethanol
CID 103179565
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
1-[(2-methoxyethylamino)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62774535
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol
CID 106452596
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
4-[(2-butoxyethylamino)methyl]oxan-4-ol
CID 81131048
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol (CID 103179102) is 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCCOCCCOC)CC1.
What is the InChIKey of 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is UTEQNKMLFKCBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-14-5-7-15(17,8-6-14)13-16-9-12-19-11-4-10-18-2/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103179102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).