N,N-dibutylbutan-1-amine;1,4-dioxane

C16H35NO2 — CID 67854629

IUPACN,N-dibutylbutan-1-amine;1,4-dioxane
SMILESC1COCCO1.CCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N.C4H8O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-6-4-3-5-1/h4-12H2,1-3H3;1-4H2
InChIKeyWEURCJAWJZHZDU-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.72
Rot. Bonds9

About N,N-dibutylbutan-1-amine;1,4-dioxane

N,N-dibutylbutan-1-amine;1,4-dioxane (PubChem CID 67854629) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;1,4-dioxane.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;1,4-dioxane
PubChem CID67854629
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC NameN,N-dibutylbutan-1-amine;1,4-dioxane
SMILESC1COCCO1.CCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N.C4H8O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-6-4-3-5-1/h4-12H2,1-3H3;1-4H2
InChIKeyWEURCJAWJZHZDU-UHFFFAOYSA-N
XLogP3.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
1,4-dioxane;tetradecane
CID 159034856
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
N,N-dibutylpentadecan-1-amine
CID 4175227
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;1,4-dioxane?
The IUPAC name of N,N-dibutylbutan-1-amine;1,4-dioxane (CID 67854629) is N,N-dibutylbutan-1-amine;1,4-dioxane.
What is the SMILES notation for N,N-dibutylbutan-1-amine;1,4-dioxane?
The canonical SMILES for N,N-dibutylbutan-1-amine;1,4-dioxane is C1COCCO1.CCCCN(CCCC)CCCC.
What is the InChIKey of N,N-dibutylbutan-1-amine;1,4-dioxane?
The InChIKey is WEURCJAWJZHZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C4H8O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-6-4-3-5-1/h4-12H2,1-3H3;1-4H2.
What are the key properties of N,N-dibutylbutan-1-amine;1,4-dioxane?
N,N-dibutylbutan-1-amine;1,4-dioxane has a molecular weight of 273.46 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;1,4-dioxane is sourced from PubChem (CID 67854629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).