N'-(4-decoxybutyl)propane-1,3-diamine

C17H38N2O — CID 14389683

IUPACN'-(4-decoxybutyl)propane-1,3-diamine
SMILESCCCCCCCCCCOCCCCNCCCN
InChIInChI=1S/C17H38N2O/c1-2-3-4-5-6-7-8-10-16-20-17-11-9-14-19-15-12-13-18/h19H,2-18H2,1H3
InChIKeyCPMWQEJMKGQCTR-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.86
Rot. Bonds17

About N'-(4-decoxybutyl)propane-1,3-diamine

N'-(4-decoxybutyl)propane-1,3-diamine (PubChem CID 14389683) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is N'-(4-decoxybutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-decoxybutyl)propane-1,3-diamine
PubChem CID14389683
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC NameN'-(4-decoxybutyl)propane-1,3-diamine
SMILESCCCCCCCCCCOCCCCNCCCN
InChIInChI=1S/C17H38N2O/c1-2-3-4-5-6-7-8-10-16-20-17-11-9-14-19-15-12-13-18/h19H,2-18H2,1H3
InChIKeyCPMWQEJMKGQCTR-UHFFFAOYSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.86
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'-(4-decoxybutyl)propane-1,3-diamine?
The IUPAC name of N'-(4-decoxybutyl)propane-1,3-diamine (CID 14389683) is N'-(4-decoxybutyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-decoxybutyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-decoxybutyl)propane-1,3-diamine is CCCCCCCCCCOCCCCNCCCN.
What is the InChIKey of N'-(4-decoxybutyl)propane-1,3-diamine?
The InChIKey is CPMWQEJMKGQCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-2-3-4-5-6-7-8-10-16-20-17-11-9-14-19-15-12-13-18/h19H,2-18H2,1H3.
What are the key properties of N'-(4-decoxybutyl)propane-1,3-diamine?
N'-(4-decoxybutyl)propane-1,3-diamine has a molecular weight of 286.50 g/mol, XLogP of 3.86, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-decoxybutyl)propane-1,3-diamine is sourced from PubChem (CID 14389683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).