N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine

C13H17NO — CID 163212329

IUPACN-methoxy-1-(2-methylphenyl)pent-4-en-1-imine
SMILESC=CCCC(=NOC)c1ccccc1C
InChIInChI=1S/C13H17NO/c1-4-5-10-13(14-15-3)12-9-7-6-8-11(12)2/h4,6-9H,1,5,10H2,2-3H3
InChIKeyDAKOSQHLFUVDLH-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.31
Rot. Bonds5

About N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine

N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine (PubChem CID 163212329) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine.

Molecular Properties

Compound NameN-methoxy-1-(2-methylphenyl)pent-4-en-1-imine
PubChem CID163212329
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-methoxy-1-(2-methylphenyl)pent-4-en-1-imine
SMILESC=CCCC(=NOC)c1ccccc1C
InChIInChI=1S/C13H17NO/c1-4-5-10-13(14-15-3)12-9-7-6-8-11(12)2/h4,6-9H,1,5,10H2,2-3H3
InChIKeyDAKOSQHLFUVDLH-UHFFFAOYSA-N
XLogP3.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-[(E)-C-but-3-enyl-N-methoxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 167229657
(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
CID 46944422
(2Z)-N'-ethenyl-2-methoxyimino-2-(2-methylphenyl)ethanimidamide
CID 18713749
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
(1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol
CID 134275721
N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 72966378
O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate
CID 134889917
N-methoxy-1-phenylhexan-1-imine
CID 141496906
N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide
CID 154038982
(NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide
CID 129202531
diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate
CID 24950663
N-[1-(2-methylphenyl)propylidene]hydroxylamine
CID 130665567

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine?
The IUPAC name of N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine (CID 163212329) is N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine.
What is the SMILES notation for N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine?
The canonical SMILES for N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine is C=CCCC(=NOC)c1ccccc1C.
What is the InChIKey of N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine?
The InChIKey is DAKOSQHLFUVDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-5-10-13(14-15-3)12-9-7-6-8-11(12)2/h4,6-9H,1,5,10H2,2-3H3.
What are the key properties of N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine?
N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine has a molecular weight of 203.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine is sourced from PubChem (CID 163212329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).