6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine

C18H37NO2 — CID 174464249

IUPAC6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine
SMILESCCC1CCC(OCCCCCCN(C)CCOC)CC1
InChIInChI=1S/C18H37NO2/c1-4-17-9-11-18(12-10-17)21-15-8-6-5-7-13-19(2)14-16-20-3/h17-18H,4-16H2,1-3H3
InChIKeyWTWQBJVURUDSJH-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.11
Rot. Bonds12

About 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine

6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine (PubChem CID 174464249) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine
PubChem CID174464249
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine
SMILESCCC1CCC(OCCCCCCN(C)CCOC)CC1
InChIInChI=1S/C18H37NO2/c1-4-17-9-11-18(12-10-17)21-15-8-6-5-7-13-19(2)14-16-20-3/h17-18H,4-16H2,1-3H3
InChIKeyWTWQBJVURUDSJH-UHFFFAOYSA-N
XLogP4.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine?
The IUPAC name of 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine (CID 174464249) is 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine?
The canonical SMILES for 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine is CCC1CCC(OCCCCCCN(C)CCOC)CC1.
What is the InChIKey of 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine?
The InChIKey is WTWQBJVURUDSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-17-9-11-18(12-10-17)21-15-8-6-5-7-13-19(2)14-16-20-3/h17-18H,4-16H2,1-3H3.
What are the key properties of 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine?
6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine has a molecular weight of 299.50 g/mol, XLogP of 4.11, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylcyclohexyl)oxy-N-(2-methoxyethyl)-N-methylhexan-1-amine is sourced from PubChem (CID 174464249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).