[4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol

C13H25NO3 — CID 50985582

IUPAC[4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol
SMILESCN(CC1CCOC1)CC1(CO)CCOCC1
InChIInChI=1S/C13H25NO3/c1-14(8-12-2-5-17-9-12)10-13(11-15)3-6-16-7-4-13/h12,15H,2-11H2,1H3
InChIKeyPEDXXXDHWMLFOS-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.74
Rot. Bonds5

About [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol

[4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol (PubChem CID 50985582) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol
PubChem CID50985582
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol
SMILESCN(CC1CCOC1)CC1(CO)CCOCC1
InChIInChI=1S/C13H25NO3/c1-14(8-12-2-5-17-9-12)10-13(11-15)3-6-16-7-4-13/h12,15H,2-11H2,1H3
InChIKeyPEDXXXDHWMLFOS-UHFFFAOYSA-N
XLogP0.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol (CID 50985582) is [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol is CN(CC1CCOC1)CC1(CO)CCOCC1.
What is the InChIKey of [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is PEDXXXDHWMLFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-14(8-12-2-5-17-9-12)10-13(11-15)3-6-16-7-4-13/h12,15H,2-11H2,1H3.
What are the key properties of [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol?
[4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl(oxolan-3-ylmethyl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 50985582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).