N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide

C10H13N3 — CID 143423401

IUPACN'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide
SMILESC=NN(/C=N/C)c1ccc(C)cc1
InChIInChI=1S/C10H13N3/c1-9-4-6-10(7-5-9)13(12-3)8-11-2/h4-8H,3H2,1-2H3/b11-8+
InChIKeyNZQSGUKXEIHNGH-DHZHZOJOSA-N
MW175.23 g/mol
LogP2.08
Rot. Bonds3

About N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide

N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide (PubChem CID 143423401) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide
PubChem CID143423401
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide
SMILESC=NN(/C=N/C)c1ccc(C)cc1
InChIInChI=1S/C10H13N3/c1-9-4-6-10(7-5-9)13(12-3)8-11-2/h4-8H,3H2,1-2H3/b11-8+
InChIKeyNZQSGUKXEIHNGH-DHZHZOJOSA-N
XLogP2.08
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
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'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide?
The IUPAC name of N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide (CID 143423401) is N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide.
What is the SMILES notation for N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide?
The canonical SMILES for N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide is C=NN(/C=N/C)c1ccc(C)cc1.
What is the InChIKey of N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide?
The InChIKey is NZQSGUKXEIHNGH-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13N3/c1-9-4-6-10(7-5-9)13(12-3)8-11-2/h4-8H,3H2,1-2H3/b11-8+.
What are the key properties of N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide?
N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide has a molecular weight of 175.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(methylideneamino)-N-(4-methylphenyl)methanimidamide is sourced from PubChem (CID 143423401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).