N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide

C13H23N5 — CID 143008171

IUPACN'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide
SMILESC=C(/C=N\NC)/C(=N/C1CCCCC1)N/C=N/C
InChIInChI=1S/C13H23N5/c1-11(9-17-15-3)13(16-10-14-2)18-12-7-5-4-6-8-12/h9-10,12,15H,1,4-8H2,2-3H3,(H,14,16,18)/b17-9-
InChIKeyHDVLZNZHLRAYPO-MFOYZWKCSA-N
MW249.36 g/mol
LogP1.73
Rot. Bonds5

About N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide

N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide (PubChem CID 143008171) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide.

Molecular Properties

Compound NameN'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide
PubChem CID143008171
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide
SMILESC=C(/C=N\NC)/C(=N/C1CCCCC1)N/C=N/C
InChIInChI=1S/C13H23N5/c1-11(9-17-15-3)13(16-10-14-2)18-12-7-5-4-6-8-12/h9-10,12,15H,1,4-8H2,2-3H3,(H,14,16,18)/b17-9-
InChIKeyHDVLZNZHLRAYPO-MFOYZWKCSA-N
XLogP1.73
TPSA61.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.73
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'}

Analyze N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide?
The IUPAC name of N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide (CID 143008171) is N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide.
What is the SMILES notation for N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide?
The canonical SMILES for N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide is C=C(/C=N\NC)/C(=N/C1CCCCC1)N/C=N/C.
What is the InChIKey of N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide?
The InChIKey is HDVLZNZHLRAYPO-MFOYZWKCSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(9-17-15-3)13(16-10-14-2)18-12-7-5-4-6-8-12/h9-10,12,15H,1,4-8H2,2-3H3,(H,14,16,18)/b17-9-.
What are the key properties of N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide?
N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide has a molecular weight of 249.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide is sourced from PubChem (CID 143008171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).