N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide

C10H14N4 — CID 166842148

IUPACN'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(C)cc(/C(N)=N/N=C\N)c1
InChIInChI=1S/C10H14N4/c1-7-3-8(2)5-9(4-7)10(12)14-13-6-11/h3-6H,1-2H3,(H2,11,13)(H2,12,14)
InChIKeyLJVYYYLDKNYBGD-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.91
Rot. Bonds2

About N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide

N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide (PubChem CID 166842148) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide
PubChem CID166842148
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(C)cc(/C(N)=N/N=C\N)c1
InChIInChI=1S/C10H14N4/c1-7-3-8(2)5-9(4-7)10(12)14-13-6-11/h3-6H,1-2H3,(H2,11,13)(H2,12,14)
InChIKeyLJVYYYLDKNYBGD-UHFFFAOYSA-N
XLogP0.91
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide (CID 166842148) is N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide is Cc1cc(C)cc(/C(N)=N/N=C\N)c1.
What is the InChIKey of N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide?
The InChIKey is LJVYYYLDKNYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-3-8(2)5-9(4-7)10(12)14-13-6-11/h3-6H,1-2H3,(H2,11,13)(H2,12,14).
What are the key properties of N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide?
N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide has a molecular weight of 190.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-aminomethylideneamino]-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 166842148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).