3-[(dipropylamino)methyl]oxan-4-ol

C12H25NO2 — CID 103061158

IUPAC3-[(dipropylamino)methyl]oxan-4-ol
SMILESCCCN(CCC)CC1COCCC1O
InChIInChI=1S/C12H25NO2/c1-3-6-13(7-4-2)9-11-10-15-8-5-12(11)14/h11-12,14H,3-10H2,1-2H3
InChIKeyLDVIDRRGLBHINY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds6

About 3-[(dipropylamino)methyl]oxan-4-ol

3-[(dipropylamino)methyl]oxan-4-ol (PubChem CID 103061158) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[(dipropylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(dipropylamino)methyl]oxan-4-ol
PubChem CID103061158
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[(dipropylamino)methyl]oxan-4-ol
SMILESCCCN(CCC)CC1COCCC1O
InChIInChI=1S/C12H25NO2/c1-3-6-13(7-4-2)9-11-10-15-8-5-12(11)14/h11-12,14H,3-10H2,1-2H3
InChIKeyLDVIDRRGLBHINY-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol
CID 103061455
3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
CID 103061552
4-[(dipropylamino)methyl]-N-methyloxolan-3-amine
CID 66267847
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 103061377
3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol
CID 103061306
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
3-(2-hydroxy-2-methylbutyl)oxan-4-ol
CID 106471090
3-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 103061385
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
3-(diethylaminomethyl)oxan-4-amine
CID 83619174

Frequently Asked Questions

What is the IUPAC name of 3-[(dipropylamino)methyl]oxan-4-ol?
The IUPAC name of 3-[(dipropylamino)methyl]oxan-4-ol (CID 103061158) is 3-[(dipropylamino)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(dipropylamino)methyl]oxan-4-ol?
The canonical SMILES for 3-[(dipropylamino)methyl]oxan-4-ol is CCCN(CCC)CC1COCCC1O.
What is the InChIKey of 3-[(dipropylamino)methyl]oxan-4-ol?
The InChIKey is LDVIDRRGLBHINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-6-13(7-4-2)9-11-10-15-8-5-12(11)14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-[(dipropylamino)methyl]oxan-4-ol?
3-[(dipropylamino)methyl]oxan-4-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipropylamino)methyl]oxan-4-ol is sourced from PubChem (CID 103061158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).