4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine

C16H36N2O — CID 57105716

IUPAC4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOCCCCN(CC)CC
InChIInChI=1S/C16H36N2O/c1-5-17(6-2)13-9-11-15-19-16-12-10-14-18(7-3)8-4/h5-16H2,1-4H3
InChIKeyQQONSPSETYCAHV-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.25
Rot. Bonds14

About 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine

4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine (PubChem CID 57105716) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine
PubChem CID57105716
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOCCCCN(CC)CC
InChIInChI=1S/C16H36N2O/c1-5-17(6-2)13-9-11-15-19-16-12-10-14-18(7-3)8-4/h5-16H2,1-4H3
InChIKeyQQONSPSETYCAHV-UHFFFAOYSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
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 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine?
The IUPAC name of 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine (CID 57105716) is 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine is CCN(CC)CCCCOCCCCN(CC)CC.
What is the InChIKey of 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine?
The InChIKey is QQONSPSETYCAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-5-17(6-2)13-9-11-15-19-16-12-10-14-18(7-3)8-4/h5-16H2,1-4H3.
What are the key properties of 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine?
4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.25, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)butoxy]-N,N-diethylbutan-1-amine is sourced from PubChem (CID 57105716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).