4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine

C17H35NO2 — CID 62597985

IUPAC4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine
SMILESCCOCCCCNCCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO2/c1-5-19-10-7-6-8-18-9-11-20-16-12-15(2)13-17(3,4)14-16/h15-16,18H,5-14H2,1-4H3
InChIKeyFZBHZPVRNYKSIS-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.62
Rot. Bonds10

About 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine

4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine (PubChem CID 62597985) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine
PubChem CID62597985
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine
SMILESCCOCCCCNCCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO2/c1-5-19-10-7-6-8-18-9-11-20-16-12-15(2)13-17(3,4)14-16/h15-16,18H,5-14H2,1-4H3
InChIKeyFZBHZPVRNYKSIS-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.62
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-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
CID 62599023
N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine
CID 62598860
3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
CID 55088488
N-(2-methylsulfonylethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 62597813
2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
CID 62455277
trans-(1S,5R)-N-(3-ethoxypropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 8024888
2-methyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-2-amine
CID 62598683
3-(4-bromobutoxy)-1,1,5-trimethylcyclohexane
CID 43165211
N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine
CID 63475619
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine
CID 114342569
7-ethoxy-N-propylheptan-1-amine
CID 163393813

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine (CID 62597985) is 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine is CCOCCCCNCCOC1CC(C)CC(C)(C)C1.
What is the InChIKey of 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine?
The InChIKey is FZBHZPVRNYKSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-19-10-7-6-8-18-9-11-20-16-12-15(2)13-17(3,4)14-16/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine?
4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine is sourced from PubChem (CID 62597985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).