1-methoxy-N,3-dimethylbut-3-en-2-amine

C7H15NO — CID 79177935

IUPAC1-methoxy-N,3-dimethylbut-3-en-2-amine
SMILESC=C(C)C(COC)NC
InChIInChI=1S/C7H15NO/c1-6(2)7(8-3)5-9-4/h7-8H,1,5H2,2-4H3
InChIKeyUPECBPMKHQMPRN-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.80
Rot. Bonds4

About 1-methoxy-N,3-dimethylbut-3-en-2-amine

1-methoxy-N,3-dimethylbut-3-en-2-amine (PubChem CID 79177935) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-methoxy-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name1-methoxy-N,3-dimethylbut-3-en-2-amine
PubChem CID79177935
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-methoxy-N,3-dimethylbut-3-en-2-amine
SMILESC=C(C)C(COC)NC
InChIInChI=1S/C7H15NO/c1-6(2)7(8-3)5-9-4/h7-8H,1,5H2,2-4H3
InChIKeyUPECBPMKHQMPRN-UHFFFAOYSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
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 1-methoxy-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of 1-methoxy-N,3-dimethylbut-3-en-2-amine (CID 79177935) is 1-methoxy-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for 1-methoxy-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for 1-methoxy-N,3-dimethylbut-3-en-2-amine is C=C(C)C(COC)NC.
What is the InChIKey of 1-methoxy-N,3-dimethylbut-3-en-2-amine?
The InChIKey is UPECBPMKHQMPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)7(8-3)5-9-4/h7-8H,1,5H2,2-4H3.
What are the key properties of 1-methoxy-N,3-dimethylbut-3-en-2-amine?
1-methoxy-N,3-dimethylbut-3-en-2-amine has a molecular weight of 129.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 79177935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).