3-amino-3,6-dimethylnonan-4-one

C11H23NO — CID 116590350

IUPAC3-amino-3,6-dimethylnonan-4-one
SMILESCCCC(C)CC(=O)C(C)(N)CC
InChIInChI=1S/C11H23NO/c1-5-7-9(3)8-10(13)11(4,12)6-2/h9H,5-8,12H2,1-4H3
InChIKeyBNYJNMILBCKECM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.51
Rot. Bonds6

About 3-amino-3,6-dimethylnonan-4-one

3-amino-3,6-dimethylnonan-4-one (PubChem CID 116590350) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-amino-3,6-dimethylnonan-4-one.

Molecular Properties

Compound Name3-amino-3,6-dimethylnonan-4-one
PubChem CID116590350
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-amino-3,6-dimethylnonan-4-one
SMILESCCCC(C)CC(=O)C(C)(N)CC
InChIInChI=1S/C11H23NO/c1-5-7-9(3)8-10(13)11(4,12)6-2/h9H,5-8,12H2,1-4H3
InChIKeyBNYJNMILBCKECM-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-hydroxy-6-methylnonan-4-one
CID 103447100
3-amino-3,5-dimethyloctan-4-one
CID 107890205
2,5-dimethyl-2-morpholin-4-yloctan-3-one
CID 79045428
ethane;4-methylheptan-2-one
CID 142986053
4-amino-2,4-dimethylhexan-3-one
CID 116590206
3-methylhexanoate
CID 22322574
2-methyl-2-(3-methylhexanoylamino)butanoic acid
CID 119199351
3-amino-3-methylnonan-4-one
CID 116590428
2,2,5-trimethylundecan-3-one
CID 177435027
5-methyloctane-2,3-dione
CID 20560355
N'-hydroxy-3-methylhexanimidamide
CID 76589131
(3R)-N,N,3-trimethylhexanamide
CID 170848594

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,6-dimethylnonan-4-one?
The IUPAC name of 3-amino-3,6-dimethylnonan-4-one (CID 116590350) is 3-amino-3,6-dimethylnonan-4-one.
What is the SMILES notation for 3-amino-3,6-dimethylnonan-4-one?
The canonical SMILES for 3-amino-3,6-dimethylnonan-4-one is CCCC(C)CC(=O)C(C)(N)CC.
What is the InChIKey of 3-amino-3,6-dimethylnonan-4-one?
The InChIKey is BNYJNMILBCKECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-9(3)8-10(13)11(4,12)6-2/h9H,5-8,12H2,1-4H3.
What are the key properties of 3-amino-3,6-dimethylnonan-4-one?
3-amino-3,6-dimethylnonan-4-one has a molecular weight of 185.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,6-dimethylnonan-4-one is sourced from PubChem (CID 116590350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).