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

C12H25NO2 — CID 63747610

IUPAC[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol
SMILESCCCN(CC)CC1(CO)CCCOC1
InChIInChI=1S/C12H25NO2/c1-3-7-13(4-2)9-12(10-14)6-5-8-15-11-12/h14H,3-11H2,1-2H3
InChIKeyOBIGTFUNTJQNAA-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds6

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

[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol (PubChem CID 63747610) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol
PubChem CID63747610
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol
SMILESCCCN(CC)CC1(CO)CCCOC1
InChIInChI=1S/C12H25NO2/c1-3-7-13(4-2)9-12(10-14)6-5-8-15-11-12/h14H,3-11H2,1-2H3
InChIKeyOBIGTFUNTJQNAA-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(ethyl)amino]methyl]oxan-3-yl]methanol
CID 63746410
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110
N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63739766
[3-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-3-yl]methanol
CID 62270932
[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-[[3-[(dipropylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740282
N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742234
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
(3-octyloxan-3-yl)methanol
CID 66058603

Frequently Asked Questions

What is the IUPAC name of [3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol (CID 63747610) is [3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol is CCCN(CC)CC1(CO)CCCOC1.
What is the InChIKey of [3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol?
The InChIKey is OBIGTFUNTJQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-7-13(4-2)9-12(10-14)6-5-8-15-11-12/h14H,3-11H2,1-2H3.
What are the key properties of [3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol?
[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol 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-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol is sourced from PubChem (CID 63747610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).