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

C11H23NO — CID 116608511

IUPAC5-amino-2,2,6,6-tetramethylheptan-3-one
SMILESCC(C)(C)C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)8(12)7-9(13)11(4,5)6/h8H,7,12H2,1-6H3
InChIKeyBORQIROZUXGOGR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.37
Rot. Bonds2

About 5-amino-2,2,6,6-tetramethylheptan-3-one

5-amino-2,2,6,6-tetramethylheptan-3-one (PubChem CID 116608511) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-amino-2,2,6,6-tetramethylheptan-3-one.

Molecular Properties

Compound Name5-amino-2,2,6,6-tetramethylheptan-3-one
PubChem CID116608511
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-amino-2,2,6,6-tetramethylheptan-3-one
SMILESCC(C)(C)C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)8(12)7-9(13)11(4,5)6/h8H,7,12H2,1-6H3
InChIKeyBORQIROZUXGOGR-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

4-Amino-2,2,6,6-tetramethyl-3,5-heptanedione
CID 389079
4-Amino-7,7,7-trifluoro-2,2-dimethylheptan-3-one
CID 121368328
4-Amino-6-fluoro-2,2,6-trimethylheptan-3-one
CID 121368335
2,2,6,6-Tetramethyl-3-propylaminoheptane-5-one
CID 101076479
2,2,6,6-Tetramethyl-3-methylaminoheptan-5-one
CID 129772216
2-t-Butyl-aminoethyl ketone
CID 129808133
(5,5-Dimethyl-2-oxohexan-3-yl)azanium
CID 166444943
3-Heptanone, 4-amino-6-methyl-, hydrochloride
CID 134473
3-Amino-1,1,1-trifluoro-6,6-dimethylheptan-2-one
CID 112487028
1-Amino-7,7,7-trifluoro-2,2-dimethylheptan-3-one
CID 116600100
7-Amino-1,1,1-trifluoro-8,8-dimethylnonan-5-one
CID 116608529
6-Amino-1,1,1-trifluoro-7,7-dimethyloctan-4-one
CID 116608584

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2,6,6-tetramethylheptan-3-one?
The IUPAC name of 5-amino-2,2,6,6-tetramethylheptan-3-one (CID 116608511) is 5-amino-2,2,6,6-tetramethylheptan-3-one.
What is the SMILES notation for 5-amino-2,2,6,6-tetramethylheptan-3-one?
The canonical SMILES for 5-amino-2,2,6,6-tetramethylheptan-3-one is CC(C)(C)C(=O)CC(N)C(C)(C)C.
What is the InChIKey of 5-amino-2,2,6,6-tetramethylheptan-3-one?
The InChIKey is BORQIROZUXGOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)8(12)7-9(13)11(4,5)6/h8H,7,12H2,1-6H3.
What are the key properties of 5-amino-2,2,6,6-tetramethylheptan-3-one?
5-amino-2,2,6,6-tetramethylheptan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2,6,6-tetramethylheptan-3-one is sourced from PubChem (CID 116608511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).