N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide

C14H18N6 — CID 129309700

IUPACN-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide
SMILESC=C(/C=C\C=C/NC)/N=N/C=N/N=c1\ccccn1C
InChIInChI=1S/C14H18N6/c1-13(8-4-6-10-15-2)18-16-12-17-19-14-9-5-7-11-20(14)3/h4-12,15H,1H2,2-3H3/b8-4-,10-6-,17-12+,18-16+,19-14+
InChIKeyOSCYAYASGSVKGT-KGOSITJPSA-N
MW270.34 g/mol
LogP2.12
Rot. Bonds6

About N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide

N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide (PubChem CID 129309700) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide.

Molecular Properties

Compound NameN-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide
PubChem CID129309700
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide
SMILESC=C(/C=C\C=C/NC)/N=N/C=N/N=c1\ccccn1C
InChIInChI=1S/C14H18N6/c1-13(8-4-6-10-15-2)18-16-12-17-19-14-9-5-7-11-20(14)3/h4-12,15H,1H2,2-3H3/b8-4-,10-6-,17-12+,18-16+,19-14+
InChIKeyOSCYAYASGSVKGT-KGOSITJPSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide?
The IUPAC name of N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide (CID 129309700) is N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide.
What is the SMILES notation for N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide?
The canonical SMILES for N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide is C=C(/C=C\C=C/NC)/N=N/C=N/N=c1\ccccn1C.
What is the InChIKey of N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide?
The InChIKey is OSCYAYASGSVKGT-KGOSITJPSA-N. The full InChI is InChI=1S/C14H18N6/c1-13(8-4-6-10-15-2)18-16-12-17-19-14-9-5-7-11-20(14)3/h4-12,15H,1H2,2-3H3/b8-4-,10-6-,17-12+,18-16+,19-14+.
What are the key properties of N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide?
N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide has a molecular weight of 270.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide is sourced from PubChem (CID 129309700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).