9-amino-2,2-dimethyldecan-5-one

C12H25NO — CID 116610021

IUPAC9-amino-2,2-dimethyldecan-5-one
SMILESCC(N)CCCC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(13)6-5-7-11(14)8-9-12(2,3)4/h10H,5-9,13H2,1-4H3
InChIKeyOVYBKTYPOWVRHM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.90
Rot. Bonds6

About 9-amino-2,2-dimethyldecan-5-one

9-amino-2,2-dimethyldecan-5-one (PubChem CID 116610021) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 9-amino-2,2-dimethyldecan-5-one.

Molecular Properties

Compound Name9-amino-2,2-dimethyldecan-5-one
PubChem CID116610021
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name9-amino-2,2-dimethyldecan-5-one
SMILESCC(N)CCCC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(13)6-5-7-11(14)8-9-12(2,3)4/h10H,5-9,13H2,1-4H3
InChIKeyOVYBKTYPOWVRHM-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-aminoundecan-6-one
CID 116610207
10-aminoundec-1-en-6-one
CID 116610182
2,2-dimethyldodecane-5,8-dione
CID 13333855
6-amino-2-methylheptane-2-thiol
CID 21432614
(5S)-5-aminohexanamide;hydrochloride
CID 174367343
2,2-dimethyldodecan-5-one
CID 114970047
1-amino-3,3,10-trimethylundecan-6-one
CID 116574855
2,7,7-trimethyloctan-4-one
CID 62619842
2,2,14,14-tetramethylpentadecane-3,11-dione
CID 162694763
4-amino-N-(5,5-dimethylhexan-2-yl)pentanamide;hydrochloride
CID 120563103
6-amino-2-oxoheptanoic acid
CID 87327623
(7,7-dimethyl-4-oxooctyl) 3,3-dimethylbutanoate
CID 163644579

Frequently Asked Questions

What is the IUPAC name of 9-amino-2,2-dimethyldecan-5-one?
The IUPAC name of 9-amino-2,2-dimethyldecan-5-one (CID 116610021) is 9-amino-2,2-dimethyldecan-5-one.
What is the SMILES notation for 9-amino-2,2-dimethyldecan-5-one?
The canonical SMILES for 9-amino-2,2-dimethyldecan-5-one is CC(N)CCCC(=O)CCC(C)(C)C.
What is the InChIKey of 9-amino-2,2-dimethyldecan-5-one?
The InChIKey is OVYBKTYPOWVRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(13)6-5-7-11(14)8-9-12(2,3)4/h10H,5-9,13H2,1-4H3.
What are the key properties of 9-amino-2,2-dimethyldecan-5-one?
9-amino-2,2-dimethyldecan-5-one has a molecular weight of 199.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2,2-dimethyldecan-5-one is sourced from PubChem (CID 116610021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).