(2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene

C17H25N — CID 164925034

IUPAC(2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene
SMILESC=C/C=C(\C=C)CNCC.CCc1ccccc1
InChIInChI=1S/C9H15N.C8H10/c1-4-7-9(5-2)8-10-6-3;1-2-8-6-4-3-5-7-8/h4-5,7,10H,1-2,6,8H2,3H3;3-7H,2H2,1H3/b9-7+;
InChIKeyWIBSEOGOXQBZPI-BXTVWIJMSA-N
MW243.39 g/mol
LogP4.14
Rot. Bonds6

About (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene

(2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene (PubChem CID 164925034) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene.

Molecular Properties

Compound Name(2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene
PubChem CID164925034
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene
SMILESC=C/C=C(\C=C)CNCC.CCc1ccccc1
InChIInChI=1S/C9H15N.C8H10/c1-4-7-9(5-2)8-10-6-3;1-2-8-6-4-3-5-7-8/h4-5,7,10H,1-2,6,8H2,3H3;3-7H,2H2,1H3/b9-7+;
InChIKeyWIBSEOGOXQBZPI-BXTVWIJMSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene 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 (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene?
The IUPAC name of (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene (CID 164925034) is (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene.
What is the SMILES notation for (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene?
The canonical SMILES for (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene is C=C/C=C(\C=C)CNCC.CCc1ccccc1.
What is the InChIKey of (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene?
The InChIKey is WIBSEOGOXQBZPI-BXTVWIJMSA-N. The full InChI is InChI=1S/C9H15N.C8H10/c1-4-7-9(5-2)8-10-6-3;1-2-8-6-4-3-5-7-8/h4-5,7,10H,1-2,6,8H2,3H3;3-7H,2H2,1H3/b9-7+;.
What are the key properties of (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene?
(2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene has a molecular weight of 243.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene is sourced from PubChem (CID 164925034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).