N'-methanimidoyl-N-methylidenebenzenecarboximidamide

C9H9N3 — CID 145447927

IUPACN'-methanimidoyl-N-methylidenebenzenecarboximidamide
SMILES[H]/N=C/N=C(\N=C)c1ccccc1
InChIInChI=1S/C9H9N3/c1-11-9(12-7-10)8-5-3-2-4-6-8/h2-7,10H,1H2/b10-7+,12-9-
InChIKeyCLPHELIBMCOSMV-MLLAUDNSSA-N
MW159.19 g/mol
LogP1.74
Rot. Bonds2

About N'-methanimidoyl-N-methylidenebenzenecarboximidamide

N'-methanimidoyl-N-methylidenebenzenecarboximidamide (PubChem CID 145447927) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N'-methanimidoyl-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-methanimidoyl-N-methylidenebenzenecarboximidamide
PubChem CID145447927
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC NameN'-methanimidoyl-N-methylidenebenzenecarboximidamide
SMILES[H]/N=C/N=C(\N=C)c1ccccc1
InChIInChI=1S/C9H9N3/c1-11-9(12-7-10)8-5-3-2-4-6-8/h2-7,10H,1H2/b10-7+,12-9-
InChIKeyCLPHELIBMCOSMV-MLLAUDNSSA-N
XLogP1.74
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide
CID 166984457
(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine
CID 144911563
N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
CID 142314562
(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol
CID 170270040
N'-amino-N-iminobenzenecarboximidamide;methane
CID 143158063
N-benzylidenemethanimidamide
CID 142931024
(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-triene-2-thiol
CID 170269602
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
CID 144816078
1-phenylethenylbenzene;hydrochloride
CID 70400725
N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
CID 144831026
ethane;(Z)-3-phenylbut-2-en-1-imine
CID 142990186
2,2-dimethyl-N-methylidene-N'-[(E)-2-phenylprop-1-enyl]propanimidamide
CID 126560090

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-methanimidoyl-N-methylidenebenzenecarboximidamide (CID 145447927) is N'-methanimidoyl-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-methanimidoyl-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-methanimidoyl-N-methylidenebenzenecarboximidamide is [H]/N=C/N=C(\N=C)c1ccccc1.
What is the InChIKey of N'-methanimidoyl-N-methylidenebenzenecarboximidamide?
The InChIKey is CLPHELIBMCOSMV-MLLAUDNSSA-N. The full InChI is InChI=1S/C9H9N3/c1-11-9(12-7-10)8-5-3-2-4-6-8/h2-7,10H,1H2/b10-7+,12-9-.
What are the key properties of N'-methanimidoyl-N-methylidenebenzenecarboximidamide?
N'-methanimidoyl-N-methylidenebenzenecarboximidamide has a molecular weight of 159.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 145447927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).