N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide

C23H23N3 — CID 142515878

IUPACN'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=CC(=C\C=C/C)/C(/N=C(\N=C)c1ccccc1)=N\Cc1ccccc1
InChIInChI=1S/C23H23N3/c1-4-6-15-20(5-2)23(25-18-19-13-9-7-10-14-19)26-22(24-3)21-16-11-8-12-17-21/h4-17H,2-3,18H2,1H3/b6-4-,20-15+,25-23+,26-22-
InChIKeyFZVDYMIWWFCSFX-PANAOKLHSA-N
MW341.46 g/mol
LogP5.42
Rot. Bonds6

About N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide

N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide (PubChem CID 142515878) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
PubChem CID142515878
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=CC(=C\C=C/C)/C(/N=C(\N=C)c1ccccc1)=N\Cc1ccccc1
InChIInChI=1S/C23H23N3/c1-4-6-15-20(5-2)23(25-18-19-13-9-7-10-14-19)26-22(24-3)21-16-11-8-12-17-21/h4-17H,2-3,18H2,1H3/b6-4-,20-15+,25-23+,26-22-
InChIKeyFZVDYMIWWFCSFX-PANAOKLHSA-N
XLogP5.42
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[N-benzyl-C-[(3E)-hexa-1,3,5-trien-3-yl]carbonimidoyl]-3-[3-(3-hydroxyphenyl)phenyl]-N-methylidenebenzenecarboximidamide
CID 142294364
N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
CID 142515914
N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
CID 144831026
N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 137414898
N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 145237297
N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide
CID 145212078
(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
CID 129227645
(2E,4Z)-2-ethenyl-N'-[(E)-2-ethenylbut-2-enyl]-N-methylidenehexa-2,4-dienimidamide
CID 142324465
(1Z,3E,5Z)-3-ethenyl-1-phenylhepta-1,3,5-triene-1,2-dithiol
CID 145408406
(E)-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenylbut-2-enedinitrile
CID 142275586
[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene
CID 142235568
CID 177024832
CID 177024832

Frequently Asked Questions

What is the IUPAC name of N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide (CID 142515878) is N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide is C=CC(=C\C=C/C)/C(/N=C(\N=C)c1ccccc1)=N\Cc1ccccc1.
What is the InChIKey of N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is FZVDYMIWWFCSFX-PANAOKLHSA-N. The full InChI is InChI=1S/C23H23N3/c1-4-6-15-20(5-2)23(25-18-19-13-9-7-10-14-19)26-22(24-3)21-16-11-8-12-17-21/h4-17H,2-3,18H2,1H3/b6-4-,20-15+,25-23+,26-22-.
What are the key properties of N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 341.46 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 142515878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).