N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine

C13H17N5 — CID 130323186

IUPACN-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine
SMILES[H]/N=C1/C=CC(=NN=C2C=CC(=NNC)CC2)CC1
InChIInChI=1S/C13H17N5/c1-15-16-11-6-8-13(9-7-11)18-17-12-4-2-10(14)3-5-12/h2,4,6,8,14-15H,3,5,7,9H2,1H3/b14-10-,16-11?,17-12?,18-13?
InChIKeyDSVBBFZUNIVTJS-JNQNORHRSA-N
MW243.31 g/mol
LogP2.08
Rot. Bonds2

About N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine

N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine (PubChem CID 130323186) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine
PubChem CID130323186
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine
SMILES[H]/N=C1/C=CC(=NN=C2C=CC(=NNC)CC2)CC1
InChIInChI=1S/C13H17N5/c1-15-16-11-6-8-13(9-7-11)18-17-12-4-2-10(14)3-5-12/h2,4,6,8,14-15H,3,5,7,9H2,1H3/b14-10-,16-11?,17-12?,18-13?
InChIKeyDSVBBFZUNIVTJS-JNQNORHRSA-N
XLogP2.08
TPSA72.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine 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-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine?
The IUPAC name of N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine (CID 130323186) is N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine.
What is the SMILES notation for N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine?
The canonical SMILES for N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine is [H]/N=C1/C=CC(=NN=C2C=CC(=NNC)CC2)CC1.
What is the InChIKey of N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine?
The InChIKey is DSVBBFZUNIVTJS-JNQNORHRSA-N. The full InChI is InChI=1S/C13H17N5/c1-15-16-11-6-8-13(9-7-11)18-17-12-4-2-10(14)3-5-12/h2,4,6,8,14-15H,3,5,7,9H2,1H3/b14-10-,16-11?,17-12?,18-13?.
What are the key properties of N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine?
N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-iminocyclohex-2-en-1-ylidene)hydrazinylidene]cyclohex-2-en-1-ylidene]amino]methanamine is sourced from PubChem (CID 130323186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).