3-ethoxy-N-propyltridecan-4-amine

C18H39NO — CID 116717144

IUPAC3-ethoxy-N-propyltridecan-4-amine
SMILESCCCCCCCCCC(NCCC)C(CC)OCC
InChIInChI=1S/C18H39NO/c1-5-9-10-11-12-13-14-15-17(19-16-6-2)18(7-3)20-8-4/h17-19H,5-16H2,1-4H3
InChIKeyFJTWXEOIVLDFQO-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.31
Rot. Bonds15

About 3-ethoxy-N-propyltridecan-4-amine

3-ethoxy-N-propyltridecan-4-amine (PubChem CID 116717144) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 3-ethoxy-N-propyltridecan-4-amine.

Molecular Properties

Compound Name3-ethoxy-N-propyltridecan-4-amine
PubChem CID116717144
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name3-ethoxy-N-propyltridecan-4-amine
SMILESCCCCCCCCCC(NCCC)C(CC)OCC
InChIInChI=1S/C18H39NO/c1-5-9-10-11-12-13-14-15-17(19-16-6-2)18(7-3)20-8-4/h17-19H,5-16H2,1-4H3
InChIKeyFJTWXEOIVLDFQO-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-propyltetradecan-5-amine
CID 116718264
3-ethoxy-N-ethylundecan-4-amine
CID 116716862
3-heptoxy-N-propylheptan-4-amine
CID 63474937
2-ethoxy-N-propylnonan-3-amine
CID 64532611
3-methyl-N-propylhexadecan-4-amine
CID 63717053
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
5-ethyl-N-propyltetradecan-6-amine
CID 115835262
N,4-dipropyldodecan-5-amine
CID 115832095
4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 116717162
N-ethyl-3-methoxynonan-4-amine
CID 116715626
4-ethoxy-N-methylpentadecan-5-amine
CID 116717810
4-methyl-N-propyldecan-5-amine
CID 115837654

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-propyltridecan-4-amine?
The IUPAC name of 3-ethoxy-N-propyltridecan-4-amine (CID 116717144) is 3-ethoxy-N-propyltridecan-4-amine.
What is the SMILES notation for 3-ethoxy-N-propyltridecan-4-amine?
The canonical SMILES for 3-ethoxy-N-propyltridecan-4-amine is CCCCCCCCCC(NCCC)C(CC)OCC.
What is the InChIKey of 3-ethoxy-N-propyltridecan-4-amine?
The InChIKey is FJTWXEOIVLDFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-5-9-10-11-12-13-14-15-17(19-16-6-2)18(7-3)20-8-4/h17-19H,5-16H2,1-4H3.
What are the key properties of 3-ethoxy-N-propyltridecan-4-amine?
3-ethoxy-N-propyltridecan-4-amine has a molecular weight of 285.52 g/mol, XLogP of 5.31, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-propyltridecan-4-amine is sourced from PubChem (CID 116717144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).