(3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide

C15H23N5 — CID 90726729

IUPAC(3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide
SMILESC=C=C/C=C\C(=N/C)C(N)=N/N=C(/C)C1CCNCC1
InChIInChI=1S/C15H23N5/c1-4-5-6-7-14(17-3)15(16)20-19-12(2)13-8-10-18-11-9-13/h5-7,13,18H,1,8-11H2,2-3H3,(H2,16,20)/b7-6-,17-14+,19-12-
InChIKeyXIDWOCDPHRTQNF-KMBHPHMUSA-N
MW273.38 g/mol
LogP1.69
Rot. Bonds5

About (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide

(3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide (PubChem CID 90726729) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide.

Molecular Properties

Compound Name(3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide
PubChem CID90726729
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name(3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide
SMILESC=C=C/C=C\C(=N/C)C(N)=N/N=C(/C)C1CCNCC1
InChIInChI=1S/C15H23N5/c1-4-5-6-7-14(17-3)15(16)20-19-12(2)13-8-10-18-11-9-13/h5-7,13,18H,1,8-11H2,2-3H3,(H2,16,20)/b7-6-,17-14+,19-12-
InChIKeyXIDWOCDPHRTQNF-KMBHPHMUSA-N
XLogP1.69
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide?
The IUPAC name of (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide (CID 90726729) is (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide.
What is the SMILES notation for (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide?
The canonical SMILES for (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide is C=C=C/C=C\C(=N/C)C(N)=N/N=C(/C)C1CCNCC1.
What is the InChIKey of (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide?
The InChIKey is XIDWOCDPHRTQNF-KMBHPHMUSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-5-6-7-14(17-3)15(16)20-19-12(2)13-8-10-18-11-9-13/h5-7,13,18H,1,8-11H2,2-3H3,(H2,16,20)/b7-6-,17-14+,19-12-.
What are the key properties of (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide?
(3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide has a molecular weight of 273.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide is sourced from PubChem (CID 90726729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).