2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one

C12H23NO — CID 116573788

IUPAC2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one
SMILESC=C(CC)CC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H23NO/c1-7-9(2)8-10(14)11(3,4)12(5,6)13/h2,7-8,13H2,1,3-6H3
InChIKeyOJQBJPARZKGCLK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds5

About 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one

2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one (PubChem CID 116573788) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one.

Molecular Properties

Compound Name2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one
PubChem CID116573788
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one
SMILESC=C(CC)CC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H23NO/c1-7-9(2)8-10(14)11(3,4)12(5,6)13/h2,7-8,13H2,1,3-6H3
InChIKeyOJQBJPARZKGCLK-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-2-methyl-5-methylideneheptan-3-one
CID 116710259
6-amino-5,5,6-trimethylhept-1-en-4-one
CID 116573507
2-methyl-5-methylidene-2-phenylheptan-3-one
CID 66044807
1-(tert-butylamino)-4-methylidenehexan-2-one
CID 116589016
2-amino-2,3,3,6-tetramethylheptan-4-one
CID 116573551
sodium 3-methylidenepentanoate
CID 175560303
3-amino-2-methyl-7-methylidenenonan-5-one
CID 116606461
2-amino-6-methylideneoctan-4-one
CID 116556046
3-(aminomethyl)-6-methylideneoctan-4-one
CID 116575301
3-amino-2,2,3-trimethylbutanamide
CID 65264733
N-[2-amino-2-methyl-1,1-bis(propanoylamino)propyl]propanamide
CID 154957249
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
CID 103461615

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one?
The IUPAC name of 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one (CID 116573788) is 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one.
What is the SMILES notation for 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one?
The canonical SMILES for 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one is C=C(CC)CC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one?
The InChIKey is OJQBJPARZKGCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-9(2)8-10(14)11(3,4)12(5,6)13/h2,7-8,13H2,1,3-6H3.
What are the key properties of 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one?
2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one has a molecular weight of 197.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one is sourced from PubChem (CID 116573788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).