N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine

C7H12N4 — CID 88918609

IUPACN'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine
SMILESC=c1[nH]c(C)n/c1=C/NCN
InChIInChI=1S/C7H12N4/c1-5-7(3-9-4-8)11-6(2)10-5/h3,9H,1,4,8H2,2H3,(H,10,11)/b7-3+
InChIKeyOYTMBSWGGMFLLZ-XVNBXDOJSA-N
MW152.20 g/mol
LogP-1.63
Rot. Bonds2

About N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine

N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine (PubChem CID 88918609) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine.

Molecular Properties

Compound NameN'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine
PubChem CID88918609
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine
SMILESC=c1[nH]c(C)n/c1=C/NCN
InChIInChI=1S/C7H12N4/c1-5-7(3-9-4-8)11-6(2)10-5/h3,9H,1,4,8H2,2H3,(H,10,11)/b7-3+
InChIKeyOYTMBSWGGMFLLZ-XVNBXDOJSA-N
XLogP-1.63
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine 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

2-Methyl-5-methylidene-1,4-dihydroimidazole
CID 58059446
2-methyl-4,5-dimethylidene-1H-imidazole
CID 59908997
N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide
CID 134268440
(4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine
CID 134334623
(3aR)-2,5-dimethyl-3a,4-dihydro-1H-imidazo[4,5-b]pyrazine
CID 135128773
(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 137030202
(E)-[(4E)-4-(aminomethylidene)-2-methyl-1H-imidazol-5-ylidene]methanamine
CID 139297378
5-(ethylideneamino)-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine
CID 141796542
CID 143047011
CID 143047011
N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide
CID 146270867
(5E)-N-methyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 155099160
2-methyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine
CID 155324321

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine?
The IUPAC name of N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine (CID 88918609) is N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine.
What is the SMILES notation for N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine?
The canonical SMILES for N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine is C=c1[nH]c(C)n/c1=C/NCN.
What is the InChIKey of N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine?
The InChIKey is OYTMBSWGGMFLLZ-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-7(3-9-4-8)11-6(2)10-5/h3,9H,1,4,8H2,2H3,(H,10,11)/b7-3+.
What are the key properties of N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine?
N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine has a molecular weight of 152.20 g/mol, XLogP of -1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine is sourced from PubChem (CID 88918609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).