N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide

C15H17N3 — CID 142938749

IUPACN-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc(C)c(C2=C(C)CCC=C2)c1
InChIInChI=1S/C15H17N3/c1-10-5-3-4-6-13(10)14-9-12(15(16)18-17)8-7-11(14)2/h4,6-9,16-17H,3,5H2,1-2H3/b16-15-,18-17+
InChIKeyJXHNTVFLHIKKRW-LZFZKRRQSA-N
MW239.32 g/mol
LogP4.47
Rot. Bonds2

About N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide

N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide (PubChem CID 142938749) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide
PubChem CID142938749
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc(C)c(C2=C(C)CCC=C2)c1
InChIInChI=1S/C15H17N3/c1-10-5-3-4-6-13(10)14-9-12(15(16)18-17)8-7-11(14)2/h4,6-9,16-17H,3,5H2,1-2H3/b16-15-,18-17+
InChIKeyJXHNTVFLHIKKRW-LZFZKRRQSA-N
XLogP4.47
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide 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

N-imino-4-methyl-3-(2-methylphenyl)benzenecarboximidamide;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 142911086
1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 144508719
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
3-[9-[4-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170005481
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
ethane;4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]-N-imino-3,5-dimethylbenzenecarboximidamide;methanamine;2-methylpropane-2-thiol
CID 142410869
9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
acetylene;N-imino-5-[(E)-2-methylbut-2-enyl]-6H-phenanthridine-2-carboximidamide;3-methoxyprop-1-ene
CID 143165766
N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
CID 142223642
(2E,4E)-2-ethenyl-N-[(1Z)-3-imino-4-[2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-(4-phenanthren-9-ylphenyl)penta-1,4-dienyl]-5-[(5Z,9Z)-7-methyl-3,4-dihydroazecin-9-yl]penta-2,4-dien-1-imine
CID 174061063
N'-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)benzenecarboximidoyl]-5,6-dihydronaphthalene-2-carboximidamide
CID 145340384
4-[(2S)-4-cyclopropyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]-N-iminobenzenecarboximidamide
CID 174347890

Frequently Asked Questions

What is the IUPAC name of N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide?
The IUPAC name of N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide (CID 142938749) is N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide.
What is the SMILES notation for N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide?
The canonical SMILES for N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide is [H]/N=C(\N=N\[H])c1ccc(C)c(C2=C(C)CCC=C2)c1.
What is the InChIKey of N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide?
The InChIKey is JXHNTVFLHIKKRW-LZFZKRRQSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-5-3-4-6-13(10)14-9-12(15(16)18-17)8-7-11(14)2/h4,6-9,16-17H,3,5H2,1-2H3/b16-15-,18-17+.
What are the key properties of N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide?
N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide has a molecular weight of 239.32 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide is sourced from PubChem (CID 142938749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).