2-amino-2,3,3,6-tetramethylheptan-4-one

C11H23NO — CID 116573551

IUPAC2-amino-2,3,3,6-tetramethylheptan-4-one
SMILESCC(C)CC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H23NO/c1-8(2)7-9(13)10(3,4)11(5,6)12/h8H,7,12H2,1-6H3
InChIKeyCIUJOJPIFWSMMW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.37
Rot. Bonds4

About 2-amino-2,3,3,6-tetramethylheptan-4-one

2-amino-2,3,3,6-tetramethylheptan-4-one (PubChem CID 116573551) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-amino-2,3,3,6-tetramethylheptan-4-one.

Molecular Properties

Compound Name2-amino-2,3,3,6-tetramethylheptan-4-one
PubChem CID116573551
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-amino-2,3,3,6-tetramethylheptan-4-one
SMILESCC(C)CC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H23NO/c1-8(2)7-9(13)10(3,4)11(5,6)12/h8H,7,12H2,1-6H3
InChIKeyCIUJOJPIFWSMMW-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-ethyl-2-methylheptan-4-one
CID 116592612
6-amino-5,5,6-trimethylhept-1-en-4-one
CID 116573507
4-methylpentyl 3-amino-2,2,3-trimethylbutanoate
CID 65266065
ethyl 3,3,6-trimethyl-4-oxoheptanoate
CID 58823823
3-amino-N,2,2,3-tetramethyl-N-(4-methylpentan-2-yl)butanamide
CID 65269995
2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one
CID 116573788
3-methylbutanamide
CID 87933309
3-amino-2,2,3-trimethylbutanamide
CID 65264733
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
2-amino-2,6-dimethylheptan-3-one
CID 116560063
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
CID 107218704

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,3,6-tetramethylheptan-4-one?
The IUPAC name of 2-amino-2,3,3,6-tetramethylheptan-4-one (CID 116573551) is 2-amino-2,3,3,6-tetramethylheptan-4-one.
What is the SMILES notation for 2-amino-2,3,3,6-tetramethylheptan-4-one?
The canonical SMILES for 2-amino-2,3,3,6-tetramethylheptan-4-one is CC(C)CC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 2-amino-2,3,3,6-tetramethylheptan-4-one?
The InChIKey is CIUJOJPIFWSMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)7-9(13)10(3,4)11(5,6)12/h8H,7,12H2,1-6H3.
What are the key properties of 2-amino-2,3,3,6-tetramethylheptan-4-one?
2-amino-2,3,3,6-tetramethylheptan-4-one has a molecular weight of 185.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,3,6-tetramethylheptan-4-one is sourced from PubChem (CID 116573551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).