2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one

C12H25NO — CID 59248751

IUPAC2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one
SMILESCC(CC(=O)C(C)C)CN(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12(14)7-11(5)8-13(6)10(3)4/h9-11H,7-8H2,1-6H3
InChIKeyDKSVZSURVQMCMY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one

2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one (PubChem CID 59248751) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one.

Molecular Properties

Compound Name2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one
PubChem CID59248751
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one
SMILESCC(CC(=O)C(C)C)CN(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12(14)7-11(5)8-13(6)10(3)4/h9-11H,7-8H2,1-6H3
InChIKeyDKSVZSURVQMCMY-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one?
The IUPAC name of 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one (CID 59248751) is 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one.
What is the SMILES notation for 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one?
The canonical SMILES for 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one is CC(CC(=O)C(C)C)CN(C)C(C)C.
What is the InChIKey of 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one?
The InChIKey is DKSVZSURVQMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)12(14)7-11(5)8-13(6)10(3)4/h9-11H,7-8H2,1-6H3.
What are the key properties of 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one?
2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[methyl(propan-2-yl)amino]hexan-3-one is sourced from PubChem (CID 59248751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).