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

C12H24N2O — CID 57274018

IUPAC4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine
SMILESCN(C)CCC=COC=CCCN(C)C
InChIInChI=1S/C12H24N2O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyIVJWFSLKVMRHFI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.93
Rot. Bonds8

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

4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine (PubChem CID 57274018) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine
PubChem CID57274018
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine
SMILESCN(C)CCC=COC=CCCN(C)C
InChIInChI=1S/C12H24N2O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyIVJWFSLKVMRHFI-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'}

Analyze 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine (CID 57274018) is 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine is CN(C)CCC=COC=CCCN(C)C.
What is the InChIKey of 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine?
The InChIKey is IVJWFSLKVMRHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine?
4-[4-(dimethylamino)but-1-enoxy]-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 4-[4-(dimethylamino)but-1-enoxy]-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 57274018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).