methane;3-methoxy-N-methylprop-2-en-1-amine

C6H15NO — CID 161190131

IUPACmethane;3-methoxy-N-methylprop-2-en-1-amine
SMILESC.CNCC=COC
InChIInChI=1S/C5H11NO.CH4/c1-6-4-3-5-7-2;/h3,5-6H,4H2,1-2H3;1H4
InChIKeyUTPLAXZEGBUVRS-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.00
Rot. Bonds3

About methane;3-methoxy-N-methylprop-2-en-1-amine

methane;3-methoxy-N-methylprop-2-en-1-amine (PubChem CID 161190131) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is methane;3-methoxy-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Namemethane;3-methoxy-N-methylprop-2-en-1-amine
PubChem CID161190131
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Namemethane;3-methoxy-N-methylprop-2-en-1-amine
SMILESC.CNCC=COC
InChIInChI=1S/C5H11NO.CH4/c1-6-4-3-5-7-2;/h3,5-6H,4H2,1-2H3;1H4
InChIKeyUTPLAXZEGBUVRS-UHFFFAOYSA-N
XLogP1.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;3-methoxy-N-methylprop-2-en-1-amine?
The IUPAC name of methane;3-methoxy-N-methylprop-2-en-1-amine (CID 161190131) is methane;3-methoxy-N-methylprop-2-en-1-amine.
What is the SMILES notation for methane;3-methoxy-N-methylprop-2-en-1-amine?
The canonical SMILES for methane;3-methoxy-N-methylprop-2-en-1-amine is C.CNCC=COC.
What is the InChIKey of methane;3-methoxy-N-methylprop-2-en-1-amine?
The InChIKey is UTPLAXZEGBUVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH4/c1-6-4-3-5-7-2;/h3,5-6H,4H2,1-2H3;1H4.
What are the key properties of methane;3-methoxy-N-methylprop-2-en-1-amine?
methane;3-methoxy-N-methylprop-2-en-1-amine has a molecular weight of 117.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxy-N-methylprop-2-en-1-amine is sourced from PubChem (CID 161190131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).