4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal

C11H23NO2 — CID 155257512

IUPAC4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
SMILESCC(C)(C=O)CCOC(C)(C)CCN
InChIInChI=1S/C11H23NO2/c1-10(2,9-13)6-8-14-11(3,4)5-7-12/h9H,5-8,12H2,1-4H3
InChIKeyAWRVZHGGELIQLT-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.75
Rot. Bonds7

About 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal

4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal (PubChem CID 155257512) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal.

Molecular Properties

Compound Name4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
PubChem CID155257512
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
SMILESCC(C)(C=O)CCOC(C)(C)CCN
InChIInChI=1S/C11H23NO2/c1-10(2,9-13)6-8-14-11(3,4)5-7-12/h9H,5-8,12H2,1-4H3
InChIKeyAWRVZHGGELIQLT-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal?
The IUPAC name of 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal (CID 155257512) is 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal.
What is the SMILES notation for 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal?
The canonical SMILES for 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal is CC(C)(C=O)CCOC(C)(C)CCN.
What is the InChIKey of 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal?
The InChIKey is AWRVZHGGELIQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2,9-13)6-8-14-11(3,4)5-7-12/h9H,5-8,12H2,1-4H3.
What are the key properties of 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal?
4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal has a molecular weight of 201.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal is sourced from PubChem (CID 155257512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).