ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine

C23H30N2 — CID 145274981

IUPACethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine
SMILESCCN.[H]/N=C(/C=C\C(=C/C)c1cccc(-c2ccccc2)c1)C(C)C
InChIInChI=1S/C21H23N.C2H7N/c1-4-17(13-14-21(22)16(2)3)19-11-8-12-20(15-19)18-9-6-5-7-10-18;1-2-3/h4-16,22H,1-3H3;2-3H2,1H3/b14-13-,17-4+,22-21-;
InChIKeyGZVMZBYUTOPEOJ-BHIQQDLISA-N
MW334.51 g/mol
LogP5.95
Rot. Bonds5

About ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine

ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine (PubChem CID 145274981) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine.

Molecular Properties

Compound Nameethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine
PubChem CID145274981
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Nameethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine
SMILESCCN.[H]/N=C(/C=C\C(=C/C)c1cccc(-c2ccccc2)c1)C(C)C
InChIInChI=1S/C21H23N.C2H7N/c1-4-17(13-14-21(22)16(2)3)19-11-8-12-20(15-19)18-9-6-5-7-10-18;1-2-3/h4-16,22H,1-3H3;2-3H2,1H3/b14-13-,17-4+,22-21-;
InChIKeyGZVMZBYUTOPEOJ-BHIQQDLISA-N
XLogP5.95
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.95
H-Bond Donors ≤ 52
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

ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
1-nona-2,4,7-trien-3-yl-3-phenylbenzene
CID 123251128
1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene
CID 143872310
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene
CID 142394585
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
CID 145412712
1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene
CID 145258694
N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide
CID 140591566
1-[3-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]phenyl]-3-[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]-5-phenylbenzene
CID 143388720

Frequently Asked Questions

What is the IUPAC name of ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine?
The IUPAC name of ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine (CID 145274981) is ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine.
What is the SMILES notation for ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine?
The canonical SMILES for ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine is CCN.[H]/N=C(/C=C\C(=C/C)c1cccc(-c2ccccc2)c1)C(C)C.
What is the InChIKey of ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine?
The InChIKey is GZVMZBYUTOPEOJ-BHIQQDLISA-N. The full InChI is InChI=1S/C21H23N.C2H7N/c1-4-17(13-14-21(22)16(2)3)19-11-8-12-20(15-19)18-9-6-5-7-10-18;1-2-3/h4-16,22H,1-3H3;2-3H2,1H3/b14-13-,17-4+,22-21-;.
What are the key properties of ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine?
ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine has a molecular weight of 334.51 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine is sourced from PubChem (CID 145274981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).