[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol

C13H27NO2 — CID 63746410

IUPAC[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol
SMILESCCCCN(CC)CC1(CO)CCCOC1
InChIInChI=1S/C13H27NO2/c1-3-5-8-14(4-2)10-13(11-15)7-6-9-16-12-13/h15H,3-12H2,1-2H3
InChIKeyZXAPVARFUALNOZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.90
Rot. Bonds7

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

[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol (PubChem CID 63746410) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol
PubChem CID63746410
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol
SMILESCCCCN(CC)CC1(CO)CCCOC1
InChIInChI=1S/C13H27NO2/c1-3-5-8-14(4-2)10-13(11-15)7-6-9-16-12-13/h15H,3-12H2,1-2H3
InChIKeyZXAPVARFUALNOZ-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol
CID 63747610
N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742234
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
(3-octyloxan-3-yl)methanol
CID 66058603
[3-[[ethyl(furan-2-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55242635
[3-[[ethyl(2-methylpropyl)amino]methyl]oxolan-3-yl]methanol
CID 62270740
[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol
CID 107401725
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271115
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
CID 62262847
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110

Frequently Asked Questions

What is the IUPAC name of [3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol (CID 63746410) is [3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol is CCCCN(CC)CC1(CO)CCCOC1.
What is the InChIKey of [3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol?
The InChIKey is ZXAPVARFUALNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-5-8-14(4-2)10-13(11-15)7-6-9-16-12-13/h15H,3-12H2,1-2H3.
What are the key properties of [3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol?
[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol has a molecular weight of 229.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol is sourced from PubChem (CID 63746410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).