3-ethoxy-N-ethylundecan-4-amine

C15H33NO — CID 116716862

IUPAC3-ethoxy-N-ethylundecan-4-amine
SMILESCCCCCCCC(NCC)C(CC)OCC
InChIInChI=1S/C15H33NO/c1-5-9-10-11-12-13-14(16-7-3)15(6-2)17-8-4/h14-16H,5-13H2,1-4H3
InChIKeyWVMCEODWZSUISY-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds12

About 3-ethoxy-N-ethylundecan-4-amine

3-ethoxy-N-ethylundecan-4-amine (PubChem CID 116716862) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-ethoxy-N-ethylundecan-4-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethylundecan-4-amine
PubChem CID116716862
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-ethoxy-N-ethylundecan-4-amine
SMILESCCCCCCCC(NCC)C(CC)OCC
InChIInChI=1S/C15H33NO/c1-5-9-10-11-12-13-14(16-7-3)15(6-2)17-8-4/h14-16H,5-13H2,1-4H3
InChIKeyWVMCEODWZSUISY-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
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
N-ethyl-3-methoxynonan-4-amine
CID 116715626
2-ethoxy-N-ethylundecan-3-amine
CID 64535007
N-ethyl-4-methoxyundecan-5-amine
CID 116719102
N-ethyl-4-methoxydodecan-5-amine
CID 116719103
4-ethoxy-N-propyltetradecan-5-amine
CID 116718264
N,5-diethylpentadecan-6-amine
CID 115831438
1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
CID 116723712
4-ethoxy-N-methylpentadecan-5-amine
CID 116717810
N-ethyl-5-methyltridecan-6-amine
CID 114246331
N-ethyl-2,3-dimethylundecan-4-amine
CID 115832523
N-ethyl-2,3-dimethyldecan-4-amine
CID 115833855

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethylundecan-4-amine?
The IUPAC name of 3-ethoxy-N-ethylundecan-4-amine (CID 116716862) is 3-ethoxy-N-ethylundecan-4-amine.
What is the SMILES notation for 3-ethoxy-N-ethylundecan-4-amine?
The canonical SMILES for 3-ethoxy-N-ethylundecan-4-amine is CCCCCCCC(NCC)C(CC)OCC.
What is the InChIKey of 3-ethoxy-N-ethylundecan-4-amine?
The InChIKey is WVMCEODWZSUISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-5-9-10-11-12-13-14(16-7-3)15(6-2)17-8-4/h14-16H,5-13H2,1-4H3.
What are the key properties of 3-ethoxy-N-ethylundecan-4-amine?
3-ethoxy-N-ethylundecan-4-amine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethylundecan-4-amine is sourced from PubChem (CID 116716862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).