(Z)-1-(4-butylphenyl)-N-methoxyethanimine

C13H19NO — CID 90777266

IUPAC(Z)-1-(4-butylphenyl)-N-methoxyethanimine
SMILESCCCCc1ccc(/C(C)=N\OC)cc1
InChIInChI=1S/C13H19NO/c1-4-5-6-12-7-9-13(10-8-12)11(2)14-15-3/h7-10H,4-6H2,1-3H3/b14-11-
InChIKeyGALHUODYSRWCME-KAMYIIQDSA-N
MW205.30 g/mol
LogP3.40
Rot. Bonds5

About (Z)-1-(4-butylphenyl)-N-methoxyethanimine

(Z)-1-(4-butylphenyl)-N-methoxyethanimine (PubChem CID 90777266) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (Z)-1-(4-butylphenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(Z)-1-(4-butylphenyl)-N-methoxyethanimine
PubChem CID90777266
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(Z)-1-(4-butylphenyl)-N-methoxyethanimine
SMILESCCCCc1ccc(/C(C)=N\OC)cc1
InChIInChI=1S/C13H19NO/c1-4-5-6-12-7-9-13(10-8-12)11(2)14-15-3/h7-10H,4-6H2,1-3H3/b14-11-
InChIKeyGALHUODYSRWCME-KAMYIIQDSA-N
XLogP3.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
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'}

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Related Compounds

(Z)-N-methoxy-1-(4-propylphenyl)ethanimine
CID 90777265
1-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]propan-1-one
CID 23555802
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
2-[1-(4-heptylphenyl)ethylideneamino]guanidine
CID 90836565
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]methyl 2-bromoacetate
CID 173355646
1-(4-pentylphenyl)ethanethione
CID 145379251
CID 69445910
CID 69445910
4-butylbenzoic acid;zinc
CID 175174767
1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
CID 58428364
amino 4-butylbenzoate
CID 68976158
1-butyl-4-nonylbenzene
CID 59545302

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-butylphenyl)-N-methoxyethanimine?
The IUPAC name of (Z)-1-(4-butylphenyl)-N-methoxyethanimine (CID 90777266) is (Z)-1-(4-butylphenyl)-N-methoxyethanimine.
What is the SMILES notation for (Z)-1-(4-butylphenyl)-N-methoxyethanimine?
The canonical SMILES for (Z)-1-(4-butylphenyl)-N-methoxyethanimine is CCCCc1ccc(/C(C)=N\OC)cc1.
What is the InChIKey of (Z)-1-(4-butylphenyl)-N-methoxyethanimine?
The InChIKey is GALHUODYSRWCME-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-5-6-12-7-9-13(10-8-12)11(2)14-15-3/h7-10H,4-6H2,1-3H3/b14-11-.
What are the key properties of (Z)-1-(4-butylphenyl)-N-methoxyethanimine?
(Z)-1-(4-butylphenyl)-N-methoxyethanimine has a molecular weight of 205.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-butylphenyl)-N-methoxyethanimine is sourced from PubChem (CID 90777266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).