N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C17H25N3O — CID 87490304

IUPACN'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(/C=N/OCC2CC2)cc1C
InChIInChI=1S/C17H25N3O/c1-5-20(4)12-18-17-9-13(2)16(8-14(17)3)10-19-21-11-15-6-7-15/h8-10,12,15H,5-7,11H2,1-4H3/b18-12+,19-10+
InChIKeyQMTLHQCJJYFENI-RQERQUEFSA-N
MW287.41 g/mol
LogP3.68
Rot. Bonds7

About N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 87490304) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID87490304
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(/C=N/OCC2CC2)cc1C
InChIInChI=1S/C17H25N3O/c1-5-20(4)12-18-17-9-13(2)16(8-14(17)3)10-19-21-11-15-6-7-15/h8-10,12,15H,5-7,11H2,1-4H3/b18-12+,19-10+
InChIKeyQMTLHQCJJYFENI-RQERQUEFSA-N
XLogP3.68
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 87490304) is N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(/C=N/OCC2CC2)cc1C.
What is the InChIKey of N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is QMTLHQCJJYFENI-RQERQUEFSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20(4)12-18-17-9-13(2)16(8-14(17)3)10-19-21-11-15-6-7-15/h8-10,12,15H,5-7,11H2,1-4H3/b18-12+,19-10+.
What are the key properties of N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 287.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 87490304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).