2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde

C14H19NO2 — CID 144635517

IUPAC2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde
SMILESCCC(C)=NOCc1c(C=O)cccc1CC
InChIInChI=1S/C14H19NO2/c1-4-11(3)15-17-10-14-12(5-2)7-6-8-13(14)9-16/h6-9H,4-5,10H2,1-3H3
InChIKeyWKBMWWGJZMTIHW-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.36
Rot. Bonds6

About 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde

2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde (PubChem CID 144635517) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde.

Molecular Properties

Compound Name2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde
PubChem CID144635517
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde
SMILESCCC(C)=NOCc1c(C=O)cccc1CC
InChIInChI=1S/C14H19NO2/c1-4-11(3)15-17-10-14-12(5-2)7-6-8-13(14)9-16/h6-9H,4-5,10H2,1-3H3
InChIKeyWKBMWWGJZMTIHW-UHFFFAOYSA-N
XLogP3.36
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethyl-6-isocyanatophenyl)methoxy]butan-2-imine
CID 118459573
3-ethyl-2-(hydroxymethyl)benzaldehyde
CID 131495774
(2-ethyl-6-formylphenyl) acetate
CID 156902957
N-chloro-3-ethyl-2-[(propan-2-ylideneamino)oxymethyl]benzamide
CID 118459631
3-amino-2-ethylbenzaldehyde
CID 22259616
(E)-4-(2,3-diethylphenyl)but-3-enal;ethane
CID 156709204
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
1-[3-ethenyl-2-[(pentan-2-ylideneamino)oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 118459485
2,3-diethyl-4-hydroxybenzaldehyde
CID 88956337
2,3-dioctylbenzaldehyde
CID 175319778
3-ethyl-2-(trifluoromethoxy)benzaldehyde
CID 170999043
CID 173140007
CID 173140007

Frequently Asked Questions

What is the IUPAC name of 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde?
The IUPAC name of 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde (CID 144635517) is 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde.
What is the SMILES notation for 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde?
The canonical SMILES for 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde is CCC(C)=NOCc1c(C=O)cccc1CC.
What is the InChIKey of 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde?
The InChIKey is WKBMWWGJZMTIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-11(3)15-17-10-14-12(5-2)7-6-8-13(14)9-16/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde?
2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde has a molecular weight of 233.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(butan-2-ylideneamino)oxymethyl]-3-ethylbenzaldehyde is sourced from PubChem (CID 144635517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).