3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine

C14H29NO2 — CID 55088488

IUPAC3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
SMILESCCOCCCNCCOC1CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-3-16-11-4-9-15-10-12-17-14-7-5-13(2)6-8-14/h13-15H,3-12H2,1-2H3
InChIKeyWDSQOHDTIJJCFO-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds9

About 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine

3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine (PubChem CID 55088488) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
PubChem CID55088488
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
SMILESCCOCCCNCCOC1CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-3-16-11-4-9-15-10-12-17-14-7-5-13(2)6-8-14/h13-15H,3-12H2,1-2H3
InChIKeyWDSQOHDTIJJCFO-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
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-methoxy-N-[2-(4-methylcyclohexyl)oxyethyl]ethanamine
CID 62566706
4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine
CID 62597985
N-(2-cyclopentyloxyethyl)hexan-1-amine
CID 62567442
N-(2-cycloheptyloxyethyl)pentan-1-amine
CID 62584222
7-ethoxy-N-propylheptan-1-amine
CID 163393813
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine
CID 114342569
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-(2-cyclohexyloxyethyl)-3-methoxypropan-1-amine
CID 62567637
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 71106589
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine (CID 55088488) is 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine is CCOCCCNCCOC1CCC(C)CC1.
What is the InChIKey of 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine?
The InChIKey is WDSQOHDTIJJCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-16-11-4-9-15-10-12-17-14-7-5-13(2)6-8-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine?
3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine is sourced from PubChem (CID 55088488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).