3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine

C9H15N — CID 129226197

IUPAC3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=CC(C=C)=CCN(C)C
InChIInChI=1S/C9H15N/c1-5-9(6-2)7-8-10(3)4/h5-7H,1-2,8H2,3-4H3
InChIKeyWOMXWFDIMWSCDH-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.85
Rot. Bonds4

About 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine

3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine (PubChem CID 129226197) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine
PubChem CID129226197
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=CC(C=C)=CCN(C)C
InChIInChI=1S/C9H15N/c1-5-9(6-2)7-8-10(3)4/h5-7H,1-2,8H2,3-4H3
InChIKeyWOMXWFDIMWSCDH-UHFFFAOYSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine?
The IUPAC name of 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine (CID 129226197) is 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine?
The canonical SMILES for 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine is C=CC(C=C)=CCN(C)C.
What is the InChIKey of 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine?
The InChIKey is WOMXWFDIMWSCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(6-2)7-8-10(3)4/h5-7H,1-2,8H2,3-4H3.
What are the key properties of 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine?
3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 129226197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).