N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane

C13H24N4 — CID 144812531

IUPACN-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane
SMILESC=C(/C=C\C(=C)/C=N/NC)/C=N/NC.CCC
InChIInChI=1S/C10H16N4.C3H8/c1-9(7-13-11-3)5-6-10(2)8-14-12-4;1-3-2/h5-8,11-12H,1-2H2,3-4H3;3H2,1-2H3/b6-5-,13-7+,14-8+;
InChIKeyLFVYRHVYPCLTRK-OKDXJZOYSA-N
MW236.36 g/mol
LogP2.48
Rot. Bonds6

About N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane

N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane (PubChem CID 144812531) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane.

Molecular Properties

Compound NameN-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane
PubChem CID144812531
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane
SMILESC=C(/C=C\C(=C)/C=N/NC)/C=N/NC.CCC
InChIInChI=1S/C10H16N4.C3H8/c1-9(7-13-11-3)5-6-10(2)8-14-12-4;1-3-2/h5-8,11-12H,1-2H2,3-4H3;3H2,1-2H3/b6-5-,13-7+,14-8+;
InChIKeyLFVYRHVYPCLTRK-OKDXJZOYSA-N
XLogP2.48
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane 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-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane?
The IUPAC name of N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane (CID 144812531) is N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane.
What is the SMILES notation for N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane?
The canonical SMILES for N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane is C=C(/C=C\C(=C)/C=N/NC)/C=N/NC.CCC.
What is the InChIKey of N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane?
The InChIKey is LFVYRHVYPCLTRK-OKDXJZOYSA-N. The full InChI is InChI=1S/C10H16N4.C3H8/c1-9(7-13-11-3)5-6-10(2)8-14-12-4;1-3-2/h5-8,11-12H,1-2H2,3-4H3;3H2,1-2H3/b6-5-,13-7+,14-8+;.
What are the key properties of N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane?
N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane has a molecular weight of 236.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3Z)-5-[(E)-(methylhydrazinylidene)methyl]-2-methylidenehexa-3,5-dienylidene]amino]methanamine;propane is sourced from PubChem (CID 144812531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).