2-ethoxy-N-(2-ethoxydecyl)decan-1-amine

C24H51NO2 — CID 155672905

IUPAC2-ethoxy-N-(2-ethoxydecyl)decan-1-amine
SMILESCCCCCCCCC(CNCC(CCCCCCCC)OCC)OCC
InChIInChI=1S/C24H51NO2/c1-5-9-11-13-15-17-19-23(26-7-3)21-25-22-24(27-8-4)20-18-16-14-12-10-6-2/h23-25H,5-22H2,1-4H3
InChIKeyAUIBSUBAFNYQKU-UHFFFAOYSA-N
MW385.68 g/mol
LogP6.89
Rot. Bonds22

About 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine

2-ethoxy-N-(2-ethoxydecyl)decan-1-amine (PubChem CID 155672905) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-(2-ethoxydecyl)decan-1-amine
PubChem CID155672905
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC Name2-ethoxy-N-(2-ethoxydecyl)decan-1-amine
SMILESCCCCCCCCC(CNCC(CCCCCCCC)OCC)OCC
InChIInChI=1S/C24H51NO2/c1-5-9-11-13-15-17-19-23(26-7-3)21-25-22-24(27-8-4)20-18-16-14-12-10-6-2/h23-25H,5-22H2,1-4H3
InChIKeyAUIBSUBAFNYQKU-UHFFFAOYSA-N
XLogP6.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 56.89
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine?
The IUPAC name of 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine (CID 155672905) is 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine.
What is the SMILES notation for 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine?
The canonical SMILES for 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine is CCCCCCCCC(CNCC(CCCCCCCC)OCC)OCC.
What is the InChIKey of 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine?
The InChIKey is AUIBSUBAFNYQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2/c1-5-9-11-13-15-17-19-23(26-7-3)21-25-22-24(27-8-4)20-18-16-14-12-10-6-2/h23-25H,5-22H2,1-4H3.
What are the key properties of 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine?
2-ethoxy-N-(2-ethoxydecyl)decan-1-amine has a molecular weight of 385.68 g/mol, XLogP of 6.89, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-ethoxydecyl)decan-1-amine is sourced from PubChem (CID 155672905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).