N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide

C16H25N3O — CID 74931905

IUPACN'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C=NOC(C)C)cc1C
InChIInChI=1S/C16H25N3O/c1-7-19(6)11-17-16-9-13(4)15(8-14(16)5)10-18-20-12(2)3/h8-12H,7H2,1-6H3/b17-11+,18-10?
InChIKeyWQRPEGHDECMYRQ-OFAUYARESA-N
MW275.40 g/mol
LogP3.67
Rot. Bonds6

About N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 74931905) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID74931905
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C=NOC(C)C)cc1C
InChIInChI=1S/C16H25N3O/c1-7-19(6)11-17-16-9-13(4)15(8-14(16)5)10-18-20-12(2)3/h8-12H,7H2,1-6H3/b17-11+,18-10?
InChIKeyWQRPEGHDECMYRQ-OFAUYARESA-N
XLogP3.67
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.67
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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Related Compounds

N'-[2,5-dimethyl-4-[(E)-C-methyl-N-(2,2,2-trifluoroethoxy)carbonimidoyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 87491877
N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 91078939
N'-[2,5-dimethyl-4-[C-methyl-N-(2,2,2-trifluoroethoxy)carbonimidoyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 173092047
N'-[2,5-dimethyl-4-[(E)-phenylmethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 24905417
N'-[2,5-dimethyl-4-[(E)-propan-2-yloxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 44138245
2,5-dimethyl-4-[(E)-propan-2-yloxyiminomethyl]aniline
CID 44139768
N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 58214458
N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 74349954
4-(Isopropoxyiminomethyl)-2,5-dimethylaniline
CID 74932539
N'-[2,5-dimethyl-4-(2-trimethylsilylethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 76704843
N'-[4-[(E)-N-(dicyclopropylmethoxy)-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 87490133
N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 87490304

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide (CID 74931905) is N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(C=NOC(C)C)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is WQRPEGHDECMYRQ-OFAUYARESA-N. The full InChI is InChI=1S/C16H25N3O/c1-7-19(6)11-17-16-9-13(4)15(8-14(16)5)10-18-20-12(2)3/h8-12H,7H2,1-6H3/b17-11+,18-10?.
What are the key properties of N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 275.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 74931905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).