4-ethoxy-N-methylpentadecan-5-amine

C18H39NO — CID 116717810

IUPAC4-ethoxy-N-methylpentadecan-5-amine
SMILESCCCCCCCCCCC(NC)C(CCC)OCC
InChIInChI=1S/C18H39NO/c1-5-8-9-10-11-12-13-14-16-17(19-4)18(15-6-2)20-7-3/h17-19H,5-16H2,1-4H3
InChIKeyGJKFSWMUVSJWSE-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.31
Rot. Bonds15

About 4-ethoxy-N-methylpentadecan-5-amine

4-ethoxy-N-methylpentadecan-5-amine (PubChem CID 116717810) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 4-ethoxy-N-methylpentadecan-5-amine.

Molecular Properties

Compound Name4-ethoxy-N-methylpentadecan-5-amine
PubChem CID116717810
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name4-ethoxy-N-methylpentadecan-5-amine
SMILESCCCCCCCCCCC(NC)C(CCC)OCC
InChIInChI=1S/C18H39NO/c1-5-8-9-10-11-12-13-14-16-17(19-4)18(15-6-2)20-7-3/h17-19H,5-16H2,1-4H3
InChIKeyGJKFSWMUVSJWSE-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-ethoxydodecan-5-ylhydrazine
CID 105271332
4-methoxy-N-methyldecan-5-amine
CID 116718740
4-ethoxy-N-propyltetradecan-5-amine
CID 116718264
1,1-diethoxy-N-methylundecan-2-amine
CID 79495971
4-ethoxydodecan-5-ol
CID 116711346
3-ethoxy-N-ethylundecan-4-amine
CID 116716862
3-ethoxy-2-methyldodecane
CID 78302637
3-ethoxy-N-propyltridecan-4-amine
CID 116717144
4-methoxy-N-methyldodec-11-en-5-amine
CID 107009691
3-ethyl-N-methylnonan-4-amine
CID 115837459
2-ethoxy-N-methylhexan-3-amine
CID 64534795
N-ethyl-4-methoxydodecan-5-amine
CID 116719103

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methylpentadecan-5-amine?
The IUPAC name of 4-ethoxy-N-methylpentadecan-5-amine (CID 116717810) is 4-ethoxy-N-methylpentadecan-5-amine.
What is the SMILES notation for 4-ethoxy-N-methylpentadecan-5-amine?
The canonical SMILES for 4-ethoxy-N-methylpentadecan-5-amine is CCCCCCCCCCC(NC)C(CCC)OCC.
What is the InChIKey of 4-ethoxy-N-methylpentadecan-5-amine?
The InChIKey is GJKFSWMUVSJWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-5-8-9-10-11-12-13-14-16-17(19-4)18(15-6-2)20-7-3/h17-19H,5-16H2,1-4H3.
What are the key properties of 4-ethoxy-N-methylpentadecan-5-amine?
4-ethoxy-N-methylpentadecan-5-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 4-ethoxy-N-methylpentadecan-5-amine is sourced from PubChem (CID 116717810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).