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

C12H24N2O — CID 18949595

IUPAC3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine
SMILESC=C(OC(=C)C(C)N(C)C)C(C)N(C)C
InChIInChI=1S/C12H24N2O/c1-9(13(5)6)11(3)15-12(4)10(2)14(7)8/h9-10H,3-4H2,1-2,5-8H3
InChIKeyZBJYMEHQJMTXGS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.93
Rot. Bonds6

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

3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine (PubChem CID 18949595) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine
PubChem CID18949595
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine
SMILESC=C(OC(=C)C(C)N(C)C)C(C)N(C)C
InChIInChI=1S/C12H24N2O/c1-9(13(5)6)11(3)15-12(4)10(2)14(7)8/h9-10H,3-4H2,1-2,5-8H3
InChIKeyZBJYMEHQJMTXGS-UHFFFAOYSA-N
XLogP1.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine?
The IUPAC name of 3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine (CID 18949595) is 3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine.
What is the SMILES notation for 3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine?
The canonical SMILES for 3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine is C=C(OC(=C)C(C)N(C)C)C(C)N(C)C.
What is the InChIKey of 3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine?
The InChIKey is ZBJYMEHQJMTXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(13(5)6)11(3)15-12(4)10(2)14(7)8/h9-10H,3-4H2,1-2,5-8H3.
What are the key properties of 3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine?
3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine has a molecular weight of 212.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-2-amine is sourced from PubChem (CID 18949595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).