4-ethoxy-N-propyltetradecan-5-amine

C19H41NO — CID 116718264

IUPAC4-ethoxy-N-propyltetradecan-5-amine
SMILESCCCCCCCCCC(NCCC)C(CCC)OCC
InChIInChI=1S/C19H41NO/c1-5-9-10-11-12-13-14-16-18(20-17-7-3)19(15-6-2)21-8-4/h18-20H,5-17H2,1-4H3
InChIKeyRFBZUMHBSWLDFN-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.70
Rot. Bonds16

About 4-ethoxy-N-propyltetradecan-5-amine

4-ethoxy-N-propyltetradecan-5-amine (PubChem CID 116718264) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 4-ethoxy-N-propyltetradecan-5-amine.

Molecular Properties

Compound Name4-ethoxy-N-propyltetradecan-5-amine
PubChem CID116718264
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name4-ethoxy-N-propyltetradecan-5-amine
SMILESCCCCCCCCCC(NCCC)C(CCC)OCC
InChIInChI=1S/C19H41NO/c1-5-9-10-11-12-13-14-16-18(20-17-7-3)19(15-6-2)21-8-4/h18-20H,5-17H2,1-4H3
InChIKeyRFBZUMHBSWLDFN-UHFFFAOYSA-N
XLogP5.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.70
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

3-ethoxy-N-propyltridecan-4-amine
CID 116717144
4-ethoxy-N-methylpentadecan-5-amine
CID 116717810
2-ethoxy-N-propylnonan-3-amine
CID 64532611
4-ethoxydodecan-5-ylhydrazine
CID 105271332
5-ethoxy-2-methyl-N-propyloctan-4-amine
CID 116718205
N,4-dipropyldodecan-5-amine
CID 115832095
3-ethoxy-N-ethylundecan-4-amine
CID 116716862
3-heptoxy-N-propylheptan-4-amine
CID 63474937
3-methyl-N-propylhexadecan-4-amine
CID 63717053
4-methyl-N-propyldecan-5-amine
CID 115837654
N-ethyl-4-methoxyundecan-5-amine
CID 116719102
N-ethyl-4-methoxydodecan-5-amine
CID 116719103

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-propyltetradecan-5-amine?
The IUPAC name of 4-ethoxy-N-propyltetradecan-5-amine (CID 116718264) is 4-ethoxy-N-propyltetradecan-5-amine.
What is the SMILES notation for 4-ethoxy-N-propyltetradecan-5-amine?
The canonical SMILES for 4-ethoxy-N-propyltetradecan-5-amine is CCCCCCCCCC(NCCC)C(CCC)OCC.
What is the InChIKey of 4-ethoxy-N-propyltetradecan-5-amine?
The InChIKey is RFBZUMHBSWLDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-5-9-10-11-12-13-14-16-18(20-17-7-3)19(15-6-2)21-8-4/h18-20H,5-17H2,1-4H3.
What are the key properties of 4-ethoxy-N-propyltetradecan-5-amine?
4-ethoxy-N-propyltetradecan-5-amine has a molecular weight of 299.54 g/mol, XLogP of 5.70, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-propyltetradecan-5-amine is sourced from PubChem (CID 116718264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).