[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine

C10H19NO3 — CID 117169010

IUPAC[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCC1(C2CCCCO2)OCC(CN)O1
InChIInChI=1S/C10H19NO3/c1-10(9-4-2-3-5-12-9)13-7-8(6-11)14-10/h8-9H,2-7,11H2,1H3
InChIKeyQRANKNGJNFAXFK-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.65
Rot. Bonds2

About [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine

[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 117169010) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine
PubChem CID117169010
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCC1(C2CCCCO2)OCC(CN)O1
InChIInChI=1S/C10H19NO3/c1-10(9-4-2-3-5-12-9)13-7-8(6-11)14-10/h8-9H,2-7,11H2,1H3
InChIKeyQRANKNGJNFAXFK-UHFFFAOYSA-N
XLogP0.65
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine (CID 117169010) is [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine is CC1(C2CCCCO2)OCC(CN)O1.
What is the InChIKey of [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is QRANKNGJNFAXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(9-4-2-3-5-12-9)13-7-8(6-11)14-10/h8-9H,2-7,11H2,1H3.
What are the key properties of [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine?
[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 117169010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).