[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol

C12H23NO2 — CID 63747612

IUPAC[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
SMILESCN(CC1CC1)CC1(CO)CCCOC1
InChIInChI=1S/C12H23NO2/c1-13(7-11-3-4-11)8-12(9-14)5-2-6-15-10-12/h11,14H,2-10H2,1H3
InChIKeyHMTJOLNJQJIQBH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.12
Rot. Bonds5

About [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol

[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol (PubChem CID 63747612) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
PubChem CID63747612
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
SMILESCN(CC1CC1)CC1(CO)CCCOC1
InChIInChI=1S/C12H23NO2/c1-13(7-11-3-4-11)8-12(9-14)5-2-6-15-10-12/h11,14H,2-10H2,1H3
InChIKeyHMTJOLNJQJIQBH-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol
CID 63745746
[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62272579
[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63746094
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63742121
[1-[[(4-aminocyclohexyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 56741237
[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol
CID 115247051
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742120
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63742117
[3-[[methyl(2-methylsulfonylethyl)amino]methyl]oxan-3-yl]methanol
CID 79858292
[3-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-3-yl]methanol
CID 62270932
[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol
CID 107401725
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62862414

Frequently Asked Questions

What is the IUPAC name of [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol (CID 63747612) is [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol is CN(CC1CC1)CC1(CO)CCCOC1.
What is the InChIKey of [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol?
The InChIKey is HMTJOLNJQJIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-13(7-11-3-4-11)8-12(9-14)5-2-6-15-10-12/h11,14H,2-10H2,1H3.
What are the key properties of [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol?
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol is sourced from PubChem (CID 63747612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).