N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide

C15H22N2O — CID 142073354

IUPACN'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide
SMILESCCC/C(C)=N/C=N/c1ccc(CC)c(OC)c1
InChIInChI=1S/C15H22N2O/c1-5-7-12(3)16-11-17-14-9-8-13(6-2)15(10-14)18-4/h8-11H,5-7H2,1-4H3/b16-12+,17-11+
InChIKeyGTJPEVHMOQRLQI-YJOMNHNESA-N
MW246.35 g/mol
LogP4.18
Rot. Bonds6

About N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide

N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide (PubChem CID 142073354) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide.

Molecular Properties

Compound NameN'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide
PubChem CID142073354
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide
SMILESCCC/C(C)=N/C=N/c1ccc(CC)c(OC)c1
InChIInChI=1S/C15H22N2O/c1-5-7-12(3)16-11-17-14-9-8-13(6-2)15(10-14)18-4/h8-11H,5-7H2,1-4H3/b16-12+,17-11+
InChIKeyGTJPEVHMOQRLQI-YJOMNHNESA-N
XLogP4.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.18
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'}

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Related Compounds

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CID 151973375
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1-ethyl-4-iodo-2-methoxybenzene
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hexyl 3-(4-ethyl-3-methoxyphenyl)prop-2-enoate
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ethyl 2-(4-methanethioyl-2-methoxyphenyl)acetate
CID 23282572
(3E)-3-[(3,4,5-trimethoxyphenyl)methylidene]heptane-2,4-dione
CID 134518332
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
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CID 91883544

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide?
The IUPAC name of N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide (CID 142073354) is N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide.
What is the SMILES notation for N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide?
The canonical SMILES for N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide is CCC/C(C)=N/C=N/c1ccc(CC)c(OC)c1.
What is the InChIKey of N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide?
The InChIKey is GTJPEVHMOQRLQI-YJOMNHNESA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-7-12(3)16-11-17-14-9-8-13(6-2)15(10-14)18-4/h8-11H,5-7H2,1-4H3/b16-12+,17-11+.
What are the key properties of N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide?
N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide has a molecular weight of 246.35 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide is sourced from PubChem (CID 142073354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).