N-methyl-N-prop-2-enyloxetan-3-amine

C7H13NO — CID 123831880

IUPACN-methyl-N-prop-2-enyloxetan-3-amine
SMILESC=CCN(C)C1COC1
InChIInChI=1S/C7H13NO/c1-3-4-8(2)7-5-9-6-7/h3,7H,1,4-6H2,2H3
InChIKeyWCTALJFTGGAGJK-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.50
Rot. Bonds3

About N-methyl-N-prop-2-enyloxetan-3-amine

N-methyl-N-prop-2-enyloxetan-3-amine (PubChem CID 123831880) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyloxetan-3-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyloxetan-3-amine
PubChem CID123831880
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-methyl-N-prop-2-enyloxetan-3-amine
SMILESC=CCN(C)C1COC1
InChIInChI=1S/C7H13NO/c1-3-4-8(2)7-5-9-6-7/h3,7H,1,4-6H2,2H3
InChIKeyWCTALJFTGGAGJK-UHFFFAOYSA-N
XLogP0.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enyloxetan-3-amine?
The IUPAC name of N-methyl-N-prop-2-enyloxetan-3-amine (CID 123831880) is N-methyl-N-prop-2-enyloxetan-3-amine.
What is the SMILES notation for N-methyl-N-prop-2-enyloxetan-3-amine?
The canonical SMILES for N-methyl-N-prop-2-enyloxetan-3-amine is C=CCN(C)C1COC1.
What is the InChIKey of N-methyl-N-prop-2-enyloxetan-3-amine?
The InChIKey is WCTALJFTGGAGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-8(2)7-5-9-6-7/h3,7H,1,4-6H2,2H3.
What are the key properties of N-methyl-N-prop-2-enyloxetan-3-amine?
N-methyl-N-prop-2-enyloxetan-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyloxetan-3-amine is sourced from PubChem (CID 123831880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).