3,4-didecoxybutan-1-amine

C24H51NO2 — CID 59222414

IUPAC3,4-didecoxybutan-1-amine
SMILESCCCCCCCCCCOCC(CCN)OCCCCCCCCCC
InChIInChI=1S/C24H51NO2/c1-3-5-7-9-11-13-15-17-21-26-23-24(19-20-25)27-22-18-16-14-12-10-8-6-4-2/h24H,3-23,25H2,1-2H3
InChIKeyWYUZOCQHXHCTGO-UHFFFAOYSA-N
MW385.68 g/mol
LogP7.02
Rot. Bonds23

About 3,4-didecoxybutan-1-amine

3,4-didecoxybutan-1-amine (PubChem CID 59222414) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 3,4-didecoxybutan-1-amine.

Molecular Properties

Compound Name3,4-didecoxybutan-1-amine
PubChem CID59222414
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC Name3,4-didecoxybutan-1-amine
SMILESCCCCCCCCCCOCC(CCN)OCCCCCCCCCC
InChIInChI=1S/C24H51NO2/c1-3-5-7-9-11-13-15-17-21-26-23-24(19-20-25)27-22-18-16-14-12-10-8-6-4-2/h24H,3-23,25H2,1-2H3
InChIKeyWYUZOCQHXHCTGO-UHFFFAOYSA-N
XLogP7.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 57.02
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 3,4-didecoxybutan-1-amine?
The IUPAC name of 3,4-didecoxybutan-1-amine (CID 59222414) is 3,4-didecoxybutan-1-amine.
What is the SMILES notation for 3,4-didecoxybutan-1-amine?
The canonical SMILES for 3,4-didecoxybutan-1-amine is CCCCCCCCCCOCC(CCN)OCCCCCCCCCC.
What is the InChIKey of 3,4-didecoxybutan-1-amine?
The InChIKey is WYUZOCQHXHCTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2/c1-3-5-7-9-11-13-15-17-21-26-23-24(19-20-25)27-22-18-16-14-12-10-8-6-4-2/h24H,3-23,25H2,1-2H3.
What are the key properties of 3,4-didecoxybutan-1-amine?
3,4-didecoxybutan-1-amine has a molecular weight of 385.68 g/mol, XLogP of 7.02, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-didecoxybutan-1-amine is sourced from PubChem (CID 59222414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).