1-methoxy-N,2-dimethylprop-2-en-1-amine

C6H13NO — CID 129016738

IUPAC1-methoxy-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)OC
InChIInChI=1S/C6H13NO/c1-5(2)6(7-3)8-4/h6-7H,1H2,2-4H3
InChIKeySIMYNGFFAPQYHW-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.75
Rot. Bonds3

About 1-methoxy-N,2-dimethylprop-2-en-1-amine

1-methoxy-N,2-dimethylprop-2-en-1-amine (PubChem CID 129016738) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-methoxy-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-methoxy-N,2-dimethylprop-2-en-1-amine
PubChem CID129016738
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-methoxy-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)OC
InChIInChI=1S/C6H13NO/c1-5(2)6(7-3)8-4/h6-7H,1H2,2-4H3
InChIKeySIMYNGFFAPQYHW-UHFFFAOYSA-N
XLogP0.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-methoxy-N,2-dimethylprop-2-en-1-amine (CID 129016738) is 1-methoxy-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-methoxy-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-methoxy-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)OC.
What is the InChIKey of 1-methoxy-N,2-dimethylprop-2-en-1-amine?
The InChIKey is SIMYNGFFAPQYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)6(7-3)8-4/h6-7H,1H2,2-4H3.
What are the key properties of 1-methoxy-N,2-dimethylprop-2-en-1-amine?
1-methoxy-N,2-dimethylprop-2-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 129016738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).