N-methylidene-2-(4-methylphenyl)ethanimidamide

C10H12N2 — CID 143076094

IUPACN-methylidene-2-(4-methylphenyl)ethanimidamide
SMILES[H]/N=C(/Cc1ccc(C)cc1)N=C
InChIInChI=1S/C10H12N2/c1-8-3-5-9(6-4-8)7-10(11)12-2/h3-6,11H,2,7H2,1H3/b11-10-
InChIKeyCXHPLPBXNZBMSO-KHPPLWFESA-N
MW160.22 g/mol
LogP2.22
Rot. Bonds2

About N-methylidene-2-(4-methylphenyl)ethanimidamide

N-methylidene-2-(4-methylphenyl)ethanimidamide (PubChem CID 143076094) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-methylidene-2-(4-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN-methylidene-2-(4-methylphenyl)ethanimidamide
PubChem CID143076094
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-methylidene-2-(4-methylphenyl)ethanimidamide
SMILES[H]/N=C(/Cc1ccc(C)cc1)N=C
InChIInChI=1S/C10H12N2/c1-8-3-5-9(6-4-8)7-10(11)12-2/h3-6,11H,2,7H2,1H3/b11-10-
InChIKeyCXHPLPBXNZBMSO-KHPPLWFESA-N
XLogP2.22
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.22
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-methylidene-2-(4-methylphenyl)ethanimidamide?
The IUPAC name of N-methylidene-2-(4-methylphenyl)ethanimidamide (CID 143076094) is N-methylidene-2-(4-methylphenyl)ethanimidamide.
What is the SMILES notation for N-methylidene-2-(4-methylphenyl)ethanimidamide?
The canonical SMILES for N-methylidene-2-(4-methylphenyl)ethanimidamide is [H]/N=C(/Cc1ccc(C)cc1)N=C.
What is the InChIKey of N-methylidene-2-(4-methylphenyl)ethanimidamide?
The InChIKey is CXHPLPBXNZBMSO-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12N2/c1-8-3-5-9(6-4-8)7-10(11)12-2/h3-6,11H,2,7H2,1H3/b11-10-.
What are the key properties of N-methylidene-2-(4-methylphenyl)ethanimidamide?
N-methylidene-2-(4-methylphenyl)ethanimidamide has a molecular weight of 160.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-2-(4-methylphenyl)ethanimidamide is sourced from PubChem (CID 143076094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).