(1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine

C16H19N — CID 146556302

IUPAC(1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine
SMILESC=CC(=C)C(/C=C\C)=C(N)c1ccccc1C
InChIInChI=1S/C16H19N/c1-5-9-14(12(3)6-2)16(17)15-11-8-7-10-13(15)4/h5-11H,2-3,17H2,1,4H3/b9-5-,16-14+
InChIKeyLALUJYFBDDIAGR-DDLSNNHVSA-N
MW225.33 g/mol
LogP3.98
Rot. Bonds4

About (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine

(1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine (PubChem CID 146556302) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine
PubChem CID146556302
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name(1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine
SMILESC=CC(=C)C(/C=C\C)=C(N)c1ccccc1C
InChIInChI=1S/C16H19N/c1-5-9-14(12(3)6-2)16(17)15-11-8-7-10-13(15)4/h5-11H,2-3,17H2,1,4H3/b9-5-,16-14+
InChIKeyLALUJYFBDDIAGR-DDLSNNHVSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethenylhepta-1,3,5-trien-4-yl)-2-methylbenzene
CID 123213362
2-methylidene-1-(2-methylphenyl)but-3-en-1-one
CID 163236678
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655
1-[(2E,5E,7E)-7-ethenyl-4-methylidene-3-prop-1-en-2-ylnona-2,5,7-trien-2-yl]-2-methylbenzene
CID 142303292
1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
CID 142414325
1-hepta-1,3,5-trien-3-yl-2-methylbenzene
CID 123500463
1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853
2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene
CID 145158017
1-[(2Z,4E)-5,7-dimethylocta-2,4,7-trien-4-yl]-2-methylbenzene;ethane
CID 144660459
2-(2-methylphenyl)prop-2-enamide
CID 23202678
1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene
CID 142567671

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine (CID 146556302) is (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine is C=CC(=C)C(/C=C\C)=C(N)c1ccccc1C.
What is the InChIKey of (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine?
The InChIKey is LALUJYFBDDIAGR-DDLSNNHVSA-N. The full InChI is InChI=1S/C16H19N/c1-5-9-14(12(3)6-2)16(17)15-11-8-7-10-13(15)4/h5-11H,2-3,17H2,1,4H3/b9-5-,16-14+.
What are the key properties of (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine?
(1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 146556302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).