10-amino-8,8-dimethyldecan-5-one

C12H25NO — CID 116574751

IUPAC10-amino-8,8-dimethyldecan-5-one
SMILESCCCCC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H25NO/c1-4-5-6-11(14)7-8-12(2,3)9-10-13/h4-10,13H2,1-3H3
InChIKeyRXOMSLWJGZUELJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.90
Rot. Bonds8

About 10-amino-8,8-dimethyldecan-5-one

10-amino-8,8-dimethyldecan-5-one (PubChem CID 116574751) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 10-amino-8,8-dimethyldecan-5-one.

Molecular Properties

Compound Name10-amino-8,8-dimethyldecan-5-one
PubChem CID116574751
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name10-amino-8,8-dimethyldecan-5-one
SMILESCCCCC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H25NO/c1-4-5-6-11(14)7-8-12(2,3)9-10-13/h4-10,13H2,1-3H3
InChIKeyRXOMSLWJGZUELJ-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-amino-3,3,10-trimethylundecan-6-one
CID 116574855
2,2-dimethyldodecane-5,8-dione
CID 13333855
pentyl 6-amino-4,4-dimethylhexanoate
CID 65285428
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
1,1,1-trifluorooctan-4-one
CID 79404361
6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide
CID 65290924
6-amino-N-butyl-N-(2-hydroxyethyl)-4,4-dimethylhexanamide
CID 65290826
3,3-dimethylpentadecan-1-amine
CID 81014127
2,2-dimethyldodecan-5-one
CID 114970047
7-amino-5,5-dimethyl-1-phenylheptan-2-one
CID 116574700
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968

Frequently Asked Questions

What is the IUPAC name of 10-amino-8,8-dimethyldecan-5-one?
The IUPAC name of 10-amino-8,8-dimethyldecan-5-one (CID 116574751) is 10-amino-8,8-dimethyldecan-5-one.
What is the SMILES notation for 10-amino-8,8-dimethyldecan-5-one?
The canonical SMILES for 10-amino-8,8-dimethyldecan-5-one is CCCCC(=O)CCC(C)(C)CCN.
What is the InChIKey of 10-amino-8,8-dimethyldecan-5-one?
The InChIKey is RXOMSLWJGZUELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-6-11(14)7-8-12(2,3)9-10-13/h4-10,13H2,1-3H3.
What are the key properties of 10-amino-8,8-dimethyldecan-5-one?
10-amino-8,8-dimethyldecan-5-one has a molecular weight of 199.34 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-8,8-dimethyldecan-5-one is sourced from PubChem (CID 116574751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).