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

C16H36N2O — CID 19822679

IUPAC1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine
SMILESCCCC(OC(CCC)N(CC)CC)N(CC)CC
InChIInChI=1S/C16H36N2O/c1-7-13-15(17(9-3)10-4)19-16(14-8-2)18(11-5)12-6/h15-16H,7-14H2,1-6H3
InChIKeyMTEUMUMZCQGVEA-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.94
Rot. Bonds12

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

1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine (PubChem CID 19822679) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine
PubChem CID19822679
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine
SMILESCCCC(OC(CCC)N(CC)CC)N(CC)CC
InChIInChI=1S/C16H36N2O/c1-7-13-15(17(9-3)10-4)19-16(14-8-2)18(11-5)12-6/h15-16H,7-14H2,1-6H3
InChIKeyMTEUMUMZCQGVEA-UHFFFAOYSA-N
XLogP3.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 14417848
CID 14417848
CID 20356620
CID 20356620
CID 46898
CID 46898
CID 46904
CID 46904
CID 45734
CID 45734
CID 45803
CID 45803
CID 45818
CID 45818
CID 46894
CID 46894
CID 46896
CID 46896
CID 47242
CID 47242
CID 54600006
CID 54600006
CID 11078149
CID 11078149

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine?
The IUPAC name of 1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine (CID 19822679) is 1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine.
What is the SMILES notation for 1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine?
The canonical SMILES for 1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine is CCCC(OC(CCC)N(CC)CC)N(CC)CC.
What is the InChIKey of 1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine?
The InChIKey is MTEUMUMZCQGVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-13-15(17(9-3)10-4)19-16(14-8-2)18(11-5)12-6/h15-16H,7-14H2,1-6H3.
What are the key properties of 1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine?
1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.94, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine is sourced from PubChem (CID 19822679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).