1-tert-butylimino-3,3-dimethylbutan-2-one

C10H19NO — CID 86729170

IUPAC1-tert-butylimino-3,3-dimethylbutan-2-one
SMILESCC(C)(C)/N=C/C(=O)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-9(2,3)8(12)7-11-10(4,5)6/h7H,1-6H3/b11-7+
InChIKeyWTQMPNHQSGDBTA-YRNVUSSQSA-N
MW169.27 g/mol
LogP2.47
Rot. Bonds1

About 1-tert-butylimino-3,3-dimethylbutan-2-one

1-tert-butylimino-3,3-dimethylbutan-2-one (PubChem CID 86729170) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-tert-butylimino-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-tert-butylimino-3,3-dimethylbutan-2-one
PubChem CID86729170
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-tert-butylimino-3,3-dimethylbutan-2-one
SMILESCC(C)(C)/N=C/C(=O)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-9(2,3)8(12)7-11-10(4,5)6/h7H,1-6H3/b11-7+
InChIKeyWTQMPNHQSGDBTA-YRNVUSSQSA-N
XLogP2.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimino-3,3-dimethylbutan-2-one?
The IUPAC name of 1-tert-butylimino-3,3-dimethylbutan-2-one (CID 86729170) is 1-tert-butylimino-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-tert-butylimino-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-tert-butylimino-3,3-dimethylbutan-2-one is CC(C)(C)/N=C/C(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylimino-3,3-dimethylbutan-2-one?
The InChIKey is WTQMPNHQSGDBTA-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2,3)8(12)7-11-10(4,5)6/h7H,1-6H3/b11-7+.
What are the key properties of 1-tert-butylimino-3,3-dimethylbutan-2-one?
1-tert-butylimino-3,3-dimethylbutan-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimino-3,3-dimethylbutan-2-one is sourced from PubChem (CID 86729170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).