2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine

C12H24N2O — CID 23618072

IUPAC2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine
SMILESC=CC(CN(C)C)OC(C=C)CN(C)C
InChIInChI=1S/C12H24N2O/c1-7-11(9-13(3)4)15-12(8-2)10-14(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3
InChIKeyFNLPSJBCSRNQKT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds8

About 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine

2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine (PubChem CID 23618072) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine
PubChem CID23618072
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine
SMILESC=CC(CN(C)C)OC(C=C)CN(C)C
InChIInChI=1S/C12H24N2O/c1-7-11(9-13(3)4)15-12(8-2)10-14(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3
InChIKeyFNLPSJBCSRNQKT-UHFFFAOYSA-N
XLogP1.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine (CID 23618072) is 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine is C=CC(CN(C)C)OC(C=C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine?
The InChIKey is FNLPSJBCSRNQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-7-11(9-13(3)4)15-12(8-2)10-14(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3.
What are the key properties of 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine?
2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 23618072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).