N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline

C15H18N2 — CID 163536698

IUPACN-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline
SMILES[H]/N=C(/c1ccccc1NC)C1(C)C=CC=CC1
InChIInChI=1S/C15H18N2/c1-15(10-6-3-7-11-15)14(16)12-8-4-5-9-13(12)17-2/h3-10,16-17H,11H2,1-2H3/b16-14-
InChIKeyDXPMXJTVWVAFRU-PEZBUJJGSA-N
MW226.32 g/mol
LogP3.62
Rot. Bonds3

About N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline

N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline (PubChem CID 163536698) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline.

Molecular Properties

Compound NameN-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline
PubChem CID163536698
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline
SMILES[H]/N=C(/c1ccccc1NC)C1(C)C=CC=CC1
InChIInChI=1S/C15H18N2/c1-15(10-6-3-7-11-15)14(16)12-8-4-5-9-13(12)17-2/h3-10,16-17H,11H2,1-2H3/b16-14-
InChIKeyDXPMXJTVWVAFRU-PEZBUJJGSA-N
XLogP3.62
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline?
The IUPAC name of N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline (CID 163536698) is N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline.
What is the SMILES notation for N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline?
The canonical SMILES for N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline is [H]/N=C(/c1ccccc1NC)C1(C)C=CC=CC1.
What is the InChIKey of N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline?
The InChIKey is DXPMXJTVWVAFRU-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H18N2/c1-15(10-6-3-7-11-15)14(16)12-8-4-5-9-13(12)17-2/h3-10,16-17H,11H2,1-2H3/b16-14-.
What are the key properties of N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline?
N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline has a molecular weight of 226.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylcyclohexa-2,4-diene-1-carboximidoyl)aniline is sourced from PubChem (CID 163536698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).