N-benzyl-N-methyl-1,3-dioxol-4-amine

C11H13NO2 — CID 66791330

IUPACN-benzyl-N-methyl-1,3-dioxol-4-amine
SMILESCN(Cc1ccccc1)C1=COCO1
InChIInChI=1S/C11H13NO2/c1-12(11-8-13-9-14-11)7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKeyZCBKLHJKKUNKFD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.92
Rot. Bonds3

About N-benzyl-N-methyl-1,3-dioxol-4-amine

N-benzyl-N-methyl-1,3-dioxol-4-amine (PubChem CID 66791330) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-benzyl-N-methyl-1,3-dioxol-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1,3-dioxol-4-amine
PubChem CID66791330
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-benzyl-N-methyl-1,3-dioxol-4-amine
SMILESCN(Cc1ccccc1)C1=COCO1
InChIInChI=1S/C11H13NO2/c1-12(11-8-13-9-14-11)7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKeyZCBKLHJKKUNKFD-UHFFFAOYSA-N
XLogP1.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1,3-dioxol-4-amine?
The IUPAC name of N-benzyl-N-methyl-1,3-dioxol-4-amine (CID 66791330) is N-benzyl-N-methyl-1,3-dioxol-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-1,3-dioxol-4-amine?
The canonical SMILES for N-benzyl-N-methyl-1,3-dioxol-4-amine is CN(Cc1ccccc1)C1=COCO1.
What is the InChIKey of N-benzyl-N-methyl-1,3-dioxol-4-amine?
The InChIKey is ZCBKLHJKKUNKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(11-8-13-9-14-11)7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3.
What are the key properties of N-benzyl-N-methyl-1,3-dioxol-4-amine?
N-benzyl-N-methyl-1,3-dioxol-4-amine has a molecular weight of 191.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1,3-dioxol-4-amine is sourced from PubChem (CID 66791330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).