3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine

C12H24N2O — CID 22728780

IUPAC3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine
SMILESC=C(CCN(C)C)OC(=C)CCN(C)C
InChIInChI=1S/C12H24N2O/c1-11(7-9-13(3)4)15-12(2)8-10-14(5)6/h1-2,7-10H2,3-6H3
InChIKeyTWICCKSGOICMNC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.93
Rot. Bonds8

About 3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine

3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine (PubChem CID 22728780) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine
PubChem CID22728780
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine
SMILESC=C(CCN(C)C)OC(=C)CCN(C)C
InChIInChI=1S/C12H24N2O/c1-11(7-9-13(3)4)15-12(2)8-10-14(5)6/h1-2,7-10H2,3-6H3
InChIKeyTWICCKSGOICMNC-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of 3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine (CID 22728780) is 3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for 3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for 3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine is C=C(CCN(C)C)OC(=C)CCN(C)C.
What is the InChIKey of 3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine?
The InChIKey is TWICCKSGOICMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(7-9-13(3)4)15-12(2)8-10-14(5)6/h1-2,7-10H2,3-6H3.
What are the key properties of 3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine?
3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)but-1-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 22728780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).