4-(dibutylamino)-2-methylbutan-1-ol

C13H29NO — CID 87479894

IUPAC4-(dibutylamino)-2-methylbutan-1-ol
SMILESCCCCN(CCCC)CCC(C)CO
InChIInChI=1S/C13H29NO/c1-4-6-9-14(10-7-5-2)11-8-13(3)12-15/h13,15H,4-12H2,1-3H3
InChIKeyLSFRYYYVYYAEFO-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.91
Rot. Bonds10

About 4-(dibutylamino)-2-methylbutan-1-ol

4-(dibutylamino)-2-methylbutan-1-ol (PubChem CID 87479894) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-(dibutylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(dibutylamino)-2-methylbutan-1-ol
PubChem CID87479894
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-(dibutylamino)-2-methylbutan-1-ol
SMILESCCCCN(CCCC)CCC(C)CO
InChIInChI=1S/C13H29NO/c1-4-6-9-14(10-7-5-2)11-8-13(3)12-15/h13,15H,4-12H2,1-3H3
InChIKeyLSFRYYYVYYAEFO-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(dibutylamino)-3-methylpentan-1-ol
CID 12040637
2-methylhexan-1-ol
CID 159157237
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl(2-methylpentyl)amino]ethanol
CID 62266090
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
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-(dibutylamino)-2-methylbutan-1-ol (CID 87479894) is 4-(dibutylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(dibutylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-(dibutylamino)-2-methylbutan-1-ol is CCCCN(CCCC)CCC(C)CO.
What is the InChIKey of 4-(dibutylamino)-2-methylbutan-1-ol?
The InChIKey is LSFRYYYVYYAEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-6-9-14(10-7-5-2)11-8-13(3)12-15/h13,15H,4-12H2,1-3H3.
What are the key properties of 4-(dibutylamino)-2-methylbutan-1-ol?
4-(dibutylamino)-2-methylbutan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 87479894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).