[2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol

C10H21NO3 — CID 102005927

IUPAC[2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol
SMILESCCCCN(C)CC1OCC(CO)O1
InChIInChI=1S/C10H21NO3/c1-3-4-5-11(2)6-10-13-8-9(7-12)14-10/h9-10,12H,3-8H2,1-2H3
InChIKeyPXJVZOIFVMGCSG-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.45
Rot. Bonds6

About [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol

[2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 102005927) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol
PubChem CID102005927
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name[2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol
SMILESCCCCN(C)CC1OCC(CO)O1
InChIInChI=1S/C10H21NO3/c1-3-4-5-11(2)6-10-13-8-9(7-12)14-10/h9-10,12H,3-8H2,1-2H3
InChIKeyPXJVZOIFVMGCSG-UHFFFAOYSA-N
XLogP0.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol (CID 102005927) is [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol is CCCCN(C)CC1OCC(CO)O1.
What is the InChIKey of [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is PXJVZOIFVMGCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-5-11(2)6-10-13-8-9(7-12)14-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol?
[2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 203.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 102005927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).