(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine

C16H18N2 — CID 178060886

IUPAC(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine
SMILESC=C/C=C\C(=C/C)\N=C\C=C(/N)c1ccccc1
InChIInChI=1S/C16H18N2/c1-3-5-11-15(4-2)18-13-12-16(17)14-9-7-6-8-10-14/h3-13H,1,17H2,2H3/b11-5-,15-4+,16-12-,18-13+
InChIKeyWFGTTXMBSVGVPC-GRUUZTDNSA-N
MW238.33 g/mol
LogP3.70
Rot. Bonds5

About (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine

(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine (PubChem CID 178060886) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine
PubChem CID178060886
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine
SMILESC=C/C=C\C(=C/C)\N=C\C=C(/N)c1ccccc1
InChIInChI=1S/C16H18N2/c1-3-5-11-15(4-2)18-13-12-16(17)14-9-7-6-8-10-14/h3-13H,1,17H2,2H3/b11-5-,15-4+,16-12-,18-13+
InChIKeyWFGTTXMBSVGVPC-GRUUZTDNSA-N
XLogP3.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine
CID 163493249
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine
CID 129313823
(1Z,3Z,4E,6Z)-3-(chloromethylimino)-1-phenylnona-1,4,6,8-tetraen-1-amine;ethane
CID 145333868
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
CID 145315287
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
CID 142604894
[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene
CID 126603537
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777
(3Z)-5,6-dimethylhepta-1,3,5-triene;ethane;prop-1-en-2-ylbenzene
CID 143844790

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine?
The IUPAC name of (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine (CID 178060886) is (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine is C=C/C=C\C(=C/C)\N=C\C=C(/N)c1ccccc1.
What is the InChIKey of (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine?
The InChIKey is WFGTTXMBSVGVPC-GRUUZTDNSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-5-11-15(4-2)18-13-12-16(17)14-9-7-6-8-10-14/h3-13H,1,17H2,2H3/b11-5-,15-4+,16-12-,18-13+.
What are the key properties of (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine?
(Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]imino-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 178060886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).