N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide

C15H22N2O — CID 58719803

IUPACN'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(C(=O)C(C)C)cc(C)c1/N=C/N(C)C
InChIInChI=1S/C15H22N2O/c1-10(2)15(18)13-7-11(3)14(12(4)8-13)16-9-17(5)6/h7-10H,1-6H3/b16-9+
InChIKeyQFNDNRROUGNACN-CXUHLZMHSA-N
MW246.35 g/mol
LogP3.36
Rot. Bonds4

About N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide

N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide (PubChem CID 58719803) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide
PubChem CID58719803
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(C(=O)C(C)C)cc(C)c1/N=C/N(C)C
InChIInChI=1S/C15H22N2O/c1-10(2)15(18)13-7-11(3)14(12(4)8-13)16-9-17(5)6/h7-10H,1-6H3/b16-9+
InChIKeyQFNDNRROUGNACN-CXUHLZMHSA-N
XLogP3.36
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.36
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'}

Analyze N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide (CID 58719803) is N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide is Cc1cc(C(=O)C(C)C)cc(C)c1/N=C/N(C)C.
What is the InChIKey of N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is QFNDNRROUGNACN-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)15(18)13-7-11(3)14(12(4)8-13)16-9-17(5)6/h7-10H,1-6H3/b16-9+.
What are the key properties of N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide?
N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 246.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 58719803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).