N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide

C17H22N2O — CID 2832984

IUPACN-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESCc1cc(C)c(C=NNC(=O)C2CC23CCC3)c(C)c1
InChIInChI=1S/C17H22N2O/c1-11-7-12(2)14(13(3)8-11)10-18-19-16(20)15-9-17(15)5-4-6-17/h7-8,10,15H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyJYKPPEAEPKEMJH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.25
Rot. Bonds3

About N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide

N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide (PubChem CID 2832984) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
PubChem CID2832984
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESCc1cc(C)c(C=NNC(=O)C2CC23CCC3)c(C)c1
InChIInChI=1S/C17H22N2O/c1-11-7-12(2)14(13(3)8-11)10-18-19-16(20)15-9-17(15)5-4-6-17/h7-8,10,15H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyJYKPPEAEPKEMJH-UHFFFAOYSA-N
XLogP3.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide 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-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide (CID 2832984) is N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide is Cc1cc(C)c(C=NNC(=O)C2CC23CCC3)c(C)c1.
What is the InChIKey of N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide?
The InChIKey is JYKPPEAEPKEMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-7-12(2)14(13(3)8-11)10-18-19-16(20)15-9-17(15)5-4-6-17/h7-8,10,15H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide?
N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 2832984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).