1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one

C12H23NO — CID 149201656

IUPAC1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one
SMILESC/C(=N\CC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(11(2,3)4)13-8-10(14)12(5,6)7/h8H2,1-7H3/b13-9+
InChIKeyXEUTWVGAQAZDQT-UKTHLTGXSA-N
MW197.32 g/mol
LogP3.11
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one

1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one (PubChem CID 149201656) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one
PubChem CID149201656
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one
SMILESC/C(=N\CC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(11(2,3)4)13-8-10(14)12(5,6)7/h8H2,1-7H3/b13-9+
InChIKeyXEUTWVGAQAZDQT-UKTHLTGXSA-N
XLogP3.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.11
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-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one (CID 149201656) is 1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one is C/C(=N\CC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one?
The InChIKey is XEUTWVGAQAZDQT-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(11(2,3)4)13-8-10(14)12(5,6)7/h8H2,1-7H3/b13-9+.
What are the key properties of 1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one?
1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one has a molecular weight of 197.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-ylideneamino)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 149201656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).