1-(1,3-dioxolan-2-yl)-N-methylmethanamine

C5H11NO2 — CID 541754

IUPAC1-(1,3-dioxolan-2-yl)-N-methylmethanamine
SMILESCNCC1OCCO1
InChIInChI=1S/C5H11NO2/c1-6-4-5-7-2-3-8-5/h5-6H,2-4H2,1H3
InChIKeyZCCPVTVGEQLONB-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.42
Rot. Bonds2

About 1-(1,3-dioxolan-2-yl)-N-methylmethanamine

1-(1,3-dioxolan-2-yl)-N-methylmethanamine (PubChem CID 541754) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-methylmethanamine
PubChem CID541754
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-(1,3-dioxolan-2-yl)-N-methylmethanamine
SMILESCNCC1OCCO1
InChIInChI=1S/C5H11NO2/c1-6-4-5-7-2-3-8-5/h5-6H,2-4H2,1H3
InChIKeyZCCPVTVGEQLONB-UHFFFAOYSA-N
XLogP-0.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-methylmethanamine (CID 541754) is 1-(1,3-dioxolan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-methylmethanamine is CNCC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-methylmethanamine?
The InChIKey is ZCCPVTVGEQLONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6-4-5-7-2-3-8-5/h5-6H,2-4H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-methylmethanamine?
1-(1,3-dioxolan-2-yl)-N-methylmethanamine has a molecular weight of 117.15 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 541754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).