N-(3,5-dimethylphenyl)-N-methylethanimidamide

C11H16N2 — CID 63173252

IUPACN-(3,5-dimethylphenyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C11H16N2/c1-8-5-9(2)7-11(6-8)13(4)10(3)12/h5-7,12H,1-4H3/b12-10+
InChIKeyUUCDRKJHXPZJBI-ZRDIBKRKSA-N
MW176.26 g/mol
LogP2.74
Rot. Bonds1

About N-(3,5-dimethylphenyl)-N-methylethanimidamide

N-(3,5-dimethylphenyl)-N-methylethanimidamide (PubChem CID 63173252) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methylethanimidamide
PubChem CID63173252
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(3,5-dimethylphenyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C11H16N2/c1-8-5-9(2)7-11(6-8)13(4)10(3)12/h5-7,12H,1-4H3/b12-10+
InChIKeyUUCDRKJHXPZJBI-ZRDIBKRKSA-N
XLogP2.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methylethanimidamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methylethanimidamide (CID 63173252) is N-(3,5-dimethylphenyl)-N-methylethanimidamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methylethanimidamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methylethanimidamide is [H]/N=C(\C)N(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methylethanimidamide?
The InChIKey is UUCDRKJHXPZJBI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-5-9(2)7-11(6-8)13(4)10(3)12/h5-7,12H,1-4H3/b12-10+.
What are the key properties of N-(3,5-dimethylphenyl)-N-methylethanimidamide?
N-(3,5-dimethylphenyl)-N-methylethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methylethanimidamide is sourced from PubChem (CID 63173252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).