N-ethenyl-N-methylbuta-1,3-dien-2-amine

C7H11N — CID 118612486

IUPACN-ethenyl-N-methylbuta-1,3-dien-2-amine
SMILESC=CC(=C)N(C)C=C
InChIInChI=1S/C7H11N/c1-5-7(3)8(4)6-2/h5-6H,1-3H2,4H3
InChIKeyFOZNBPBODWQLQO-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.76
Rot. Bonds3

About N-ethenyl-N-methylbuta-1,3-dien-2-amine

N-ethenyl-N-methylbuta-1,3-dien-2-amine (PubChem CID 118612486) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-ethenyl-N-methylbuta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-methylbuta-1,3-dien-2-amine
PubChem CID118612486
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-ethenyl-N-methylbuta-1,3-dien-2-amine
SMILESC=CC(=C)N(C)C=C
InChIInChI=1S/C7H11N/c1-5-7(3)8(4)6-2/h5-6H,1-3H2,4H3
InChIKeyFOZNBPBODWQLQO-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-ethenyl-N-methylbuta-1,3-dien-2-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 N-ethenyl-N-methylbuta-1,3-dien-2-amine?
The IUPAC name of N-ethenyl-N-methylbuta-1,3-dien-2-amine (CID 118612486) is N-ethenyl-N-methylbuta-1,3-dien-2-amine.
What is the SMILES notation for N-ethenyl-N-methylbuta-1,3-dien-2-amine?
The canonical SMILES for N-ethenyl-N-methylbuta-1,3-dien-2-amine is C=CC(=C)N(C)C=C.
What is the InChIKey of N-ethenyl-N-methylbuta-1,3-dien-2-amine?
The InChIKey is FOZNBPBODWQLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-7(3)8(4)6-2/h5-6H,1-3H2,4H3.
What are the key properties of N-ethenyl-N-methylbuta-1,3-dien-2-amine?
N-ethenyl-N-methylbuta-1,3-dien-2-amine has a molecular weight of 109.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methylbuta-1,3-dien-2-amine is sourced from PubChem (CID 118612486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).