N-[1,2,2-tris(methylideneamino)ethenyl]methanimine

C6H8N4 — CID 139820201

IUPACN-[1,2,2-tris(methylideneamino)ethenyl]methanimine
SMILESC=NC(N=C)=C(N=C)N=C
InChIInChI=1S/C6H8N4/c1-7-5(8-2)6(9-3)10-4/h1-4H2
InChIKeyKKQOCWBHQHTXBO-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.92
Rot. Bonds4

About N-[1,2,2-tris(methylideneamino)ethenyl]methanimine

N-[1,2,2-tris(methylideneamino)ethenyl]methanimine (PubChem CID 139820201) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is N-[1,2,2-tris(methylideneamino)ethenyl]methanimine.

Molecular Properties

Compound NameN-[1,2,2-tris(methylideneamino)ethenyl]methanimine
PubChem CID139820201
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC NameN-[1,2,2-tris(methylideneamino)ethenyl]methanimine
SMILESC=NC(N=C)=C(N=C)N=C
InChIInChI=1S/C6H8N4/c1-7-5(8-2)6(9-3)10-4/h1-4H2
InChIKeyKKQOCWBHQHTXBO-UHFFFAOYSA-N
XLogP0.92
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1,2,2-tris(methylideneamino)ethenyl]methanimine with MolForge

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

Launch Full Analysis

Related Compounds

1,3-dimethylideneguanidine;methane
CID 158965440
sodium N-methylidenecarbamodithioate
CID 141440522
N-methylidenehydroxylamine;molecular iodine
CID 91374804
lithium;hydride;N-methylidenehydroxylamine
CID 174536743
ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
CID 143372757
N-(1-methoxyethenyl)methanimine
CID 123326065
N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine
CID 162621100
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide
CID 87087037
2-(methylideneamino)prop-2-enenitrile
CID 86449523
2,2,2-trifluoro-N-methylideneacetamide
CID 23191452
N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide
CID 87602276

Frequently Asked Questions

What is the IUPAC name of N-[1,2,2-tris(methylideneamino)ethenyl]methanimine?
The IUPAC name of N-[1,2,2-tris(methylideneamino)ethenyl]methanimine (CID 139820201) is N-[1,2,2-tris(methylideneamino)ethenyl]methanimine.
What is the SMILES notation for N-[1,2,2-tris(methylideneamino)ethenyl]methanimine?
The canonical SMILES for N-[1,2,2-tris(methylideneamino)ethenyl]methanimine is C=NC(N=C)=C(N=C)N=C.
What is the InChIKey of N-[1,2,2-tris(methylideneamino)ethenyl]methanimine?
The InChIKey is KKQOCWBHQHTXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-7-5(8-2)6(9-3)10-4/h1-4H2.
What are the key properties of N-[1,2,2-tris(methylideneamino)ethenyl]methanimine?
N-[1,2,2-tris(methylideneamino)ethenyl]methanimine has a molecular weight of 136.16 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2,2-tris(methylideneamino)ethenyl]methanimine is sourced from PubChem (CID 139820201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).