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

C13H15NO2 — CID 68710243

IUPACN-benzyl-N-cyclopropyl-1,3-dioxol-4-amine
SMILESC1=C(N(Cc2ccccc2)C2CC2)OCO1
InChIInChI=1S/C13H15NO2/c1-2-4-11(5-3-1)8-14(12-6-7-12)13-9-15-10-16-13/h1-5,9,12H,6-8,10H2
InChIKeySUNZHPMGEQFRML-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.45
Rot. Bonds4

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

N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine (PubChem CID 68710243) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-1,3-dioxol-4-amine
PubChem CID68710243
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-benzyl-N-cyclopropyl-1,3-dioxol-4-amine
SMILESC1=C(N(Cc2ccccc2)C2CC2)OCO1
InChIInChI=1S/C13H15NO2/c1-2-4-11(5-3-1)8-14(12-6-7-12)13-9-15-10-16-13/h1-5,9,12H,6-8,10H2
InChIKeySUNZHPMGEQFRML-UHFFFAOYSA-N
XLogP2.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine?
The IUPAC name of N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine (CID 68710243) is N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine.
What is the SMILES notation for N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine?
The canonical SMILES for N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine is C1=C(N(Cc2ccccc2)C2CC2)OCO1.
What is the InChIKey of N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine?
The InChIKey is SUNZHPMGEQFRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-4-11(5-3-1)8-14(12-6-7-12)13-9-15-10-16-13/h1-5,9,12H,6-8,10H2.
What are the key properties of N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine?
N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine has a molecular weight of 217.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-1,3-dioxol-4-amine is sourced from PubChem (CID 68710243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).