N'-(18-ethoxyoctadecyl)propane-1,3-diamine

C23H50N2O — CID 54104506

IUPACN'-(18-ethoxyoctadecyl)propane-1,3-diamine
SMILESCCOCCCCCCCCCCCCCCCCCCNCCCN
InChIInChI=1S/C23H50N2O/c1-2-26-23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-25-22-19-20-24/h25H,2-24H2,1H3
InChIKeyNCUHLBDCAJKARZ-UHFFFAOYSA-N
MW370.67 g/mol
LogP6.20
Rot. Bonds23

About N'-(18-ethoxyoctadecyl)propane-1,3-diamine

N'-(18-ethoxyoctadecyl)propane-1,3-diamine (PubChem CID 54104506) has the molecular formula C23H50N2O and a molecular weight of 370.67 g/mol. Its IUPAC name is N'-(18-ethoxyoctadecyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(18-ethoxyoctadecyl)propane-1,3-diamine
PubChem CID54104506
Molecular FormulaC23H50N2O
Molecular Weight370.67 g/mol
Exact Mass370.39
IUPAC NameN'-(18-ethoxyoctadecyl)propane-1,3-diamine
SMILESCCOCCCCCCCCCCCCCCCCCCNCCCN
InChIInChI=1S/C23H50N2O/c1-2-26-23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-25-22-19-20-24/h25H,2-24H2,1H3
InChIKeyNCUHLBDCAJKARZ-UHFFFAOYSA-N
XLogP6.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 56.20
H-Bond Donors ≤ 52
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 N'-(18-ethoxyoctadecyl)propane-1,3-diamine?
The IUPAC name of N'-(18-ethoxyoctadecyl)propane-1,3-diamine (CID 54104506) is N'-(18-ethoxyoctadecyl)propane-1,3-diamine.
What is the SMILES notation for N'-(18-ethoxyoctadecyl)propane-1,3-diamine?
The canonical SMILES for N'-(18-ethoxyoctadecyl)propane-1,3-diamine is CCOCCCCCCCCCCCCCCCCCCNCCCN.
What is the InChIKey of N'-(18-ethoxyoctadecyl)propane-1,3-diamine?
The InChIKey is NCUHLBDCAJKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2O/c1-2-26-23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-25-22-19-20-24/h25H,2-24H2,1H3.
What are the key properties of N'-(18-ethoxyoctadecyl)propane-1,3-diamine?
N'-(18-ethoxyoctadecyl)propane-1,3-diamine has a molecular weight of 370.67 g/mol, XLogP of 6.20, 23 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(18-ethoxyoctadecyl)propane-1,3-diamine is sourced from PubChem (CID 54104506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).