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

C15H20N6 — CID 126498589

IUPACN-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide
SMILESC=C(/C=C\C=C/NC)/N=N/C(C)=N/N=c1\ccccn1C
InChIInChI=1S/C15H20N6/c1-13(9-5-7-11-16-3)17-18-14(2)19-20-15-10-6-8-12-21(15)4/h5-12,16H,1H2,2-4H3/b9-5-,11-7-,18-17+,19-14+,20-15+
InChIKeyHMMGSFHLWUYZJE-KXLOOFPBSA-N
MW284.37 g/mol
LogP2.51
Rot. Bonds5

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

N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide (PubChem CID 126498589) has the molecular formula C15H20N6 and a molecular weight of 284.37 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]ethanimidamide.

Molecular Properties

Compound NameN-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide
PubChem CID126498589
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide
SMILESC=C(/C=C\C=C/NC)/N=N/C(C)=N/N=c1\ccccn1C
InChIInChI=1S/C15H20N6/c1-13(9-5-7-11-16-3)17-18-14(2)19-20-15-10-6-8-12-21(15)4/h5-12,16H,1H2,2-4H3/b9-5-,11-7-,18-17+,19-14+,20-15+
InChIKeyHMMGSFHLWUYZJE-KXLOOFPBSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.51
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]ethanimidamide?
The IUPAC name of N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide (CID 126498589) is N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide.
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]ethanimidamide?
The canonical SMILES for N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide is C=C(/C=C\C=C/NC)/N=N/C(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]ethanimidamide?
The InChIKey is HMMGSFHLWUYZJE-KXLOOFPBSA-N. The full InChI is InChI=1S/C15H20N6/c1-13(9-5-7-11-16-3)17-18-14(2)19-20-15-10-6-8-12-21(15)4/h5-12,16H,1H2,2-4H3/b9-5-,11-7-,18-17+,19-14+,20-15+.
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]ethanimidamide?
N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide has a molecular weight of 284.37 g/mol, XLogP of 2.51, 5 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]ethanimidamide is sourced from PubChem (CID 126498589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).