N'-(4-hexadecoxybutyl)butane-1,4-diamine

C24H52N2O — CID 19938809

IUPACN'-(4-hexadecoxybutyl)butane-1,4-diamine
SMILESCCCCCCCCCCCCCCCCOCCCCNCCCCN
InChIInChI=1S/C24H52N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-24-19-17-22-26-21-16-15-20-25/h26H,2-25H2,1H3
InChIKeyRQHNJTWFIVIXKG-UHFFFAOYSA-N
MW384.69 g/mol
LogP6.59
Rot. Bonds24

About N'-(4-hexadecoxybutyl)butane-1,4-diamine

N'-(4-hexadecoxybutyl)butane-1,4-diamine (PubChem CID 19938809) has the molecular formula C24H52N2O and a molecular weight of 384.69 g/mol. Its IUPAC name is N'-(4-hexadecoxybutyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-hexadecoxybutyl)butane-1,4-diamine
PubChem CID19938809
Molecular FormulaC24H52N2O
Molecular Weight384.69 g/mol
Exact Mass384.41
IUPAC NameN'-(4-hexadecoxybutyl)butane-1,4-diamine
SMILESCCCCCCCCCCCCCCCCOCCCCNCCCCN
InChIInChI=1S/C24H52N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-24-19-17-22-26-21-16-15-20-25/h26H,2-25H2,1H3
InChIKeyRQHNJTWFIVIXKG-UHFFFAOYSA-N
XLogP6.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 56.59
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-hexadecoxybutyl)butane-1,4-diamine?
The IUPAC name of N'-(4-hexadecoxybutyl)butane-1,4-diamine (CID 19938809) is N'-(4-hexadecoxybutyl)butane-1,4-diamine.
What is the SMILES notation for N'-(4-hexadecoxybutyl)butane-1,4-diamine?
The canonical SMILES for N'-(4-hexadecoxybutyl)butane-1,4-diamine is CCCCCCCCCCCCCCCCOCCCCNCCCCN.
What is the InChIKey of N'-(4-hexadecoxybutyl)butane-1,4-diamine?
The InChIKey is RQHNJTWFIVIXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-24-19-17-22-26-21-16-15-20-25/h26H,2-25H2,1H3.
What are the key properties of N'-(4-hexadecoxybutyl)butane-1,4-diamine?
N'-(4-hexadecoxybutyl)butane-1,4-diamine has a molecular weight of 384.69 g/mol, XLogP of 6.59, 24 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hexadecoxybutyl)butane-1,4-diamine is sourced from PubChem (CID 19938809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).