1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol

C10H21NO4 — CID 62015764

IUPAC1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CC1CCOCO1
InChIInChI=1S/C10H21NO4/c1-11(5-9(12)7-13-2)6-10-3-4-14-8-15-10/h9-10,12H,3-8H2,1-2H3
InChIKeyCTNBHROJGLJLRX-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.31
Rot. Bonds6

About 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol

1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol (PubChem CID 62015764) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol
PubChem CID62015764
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CC1CCOCO1
InChIInChI=1S/C10H21NO4/c1-11(5-9(12)7-13-2)6-10-3-4-14-8-15-10/h9-10,12H,3-8H2,1-2H3
InChIKeyCTNBHROJGLJLRX-UHFFFAOYSA-N
XLogP-0.31
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol (CID 62015764) is 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol is COCC(O)CN(C)CC1CCOCO1.
What is the InChIKey of 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol?
The InChIKey is CTNBHROJGLJLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-11(5-9(12)7-13-2)6-10-3-4-14-8-15-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol?
1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol has a molecular weight of 219.28 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62015764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).