1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine

C6H13NO2 — CID 70217294

IUPAC1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine
SMILESCC(N)CC1OC(C)O1
InChIInChI=1S/C6H13NO2/c1-4(7)3-6-8-5(2)9-6/h4-6H,3,7H2,1-2H3
InChIKeyNUXHVAQGLQYMPV-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.44
Rot. Bonds2

About 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine

1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine (PubChem CID 70217294) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine
PubChem CID70217294
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine
SMILESCC(N)CC1OC(C)O1
InChIInChI=1S/C6H13NO2/c1-4(7)3-6-8-5(2)9-6/h4-6H,3,7H2,1-2H3
InChIKeyNUXHVAQGLQYMPV-UHFFFAOYSA-N
XLogP0.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine?
The IUPAC name of 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine (CID 70217294) is 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine is CC(N)CC1OC(C)O1.
What is the InChIKey of 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine?
The InChIKey is NUXHVAQGLQYMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(7)3-6-8-5(2)9-6/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine?
1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine has a molecular weight of 131.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine is sourced from PubChem (CID 70217294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).