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

C12H25NO — CID 18739783

IUPAC2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one
SMILESCC(C)C(=O)CC(C)(C)N(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11(14)8-12(5,6)13(7)10(3)4/h9-10H,8H2,1-7H3
InChIKeyFAIHVMWRLDMMSF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds5

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

2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one (PubChem CID 18739783) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one.

Molecular Properties

Compound Name2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one
PubChem CID18739783
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one
SMILESCC(C)C(=O)CC(C)(C)N(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11(14)8-12(5,6)13(7)10(3)4/h9-10H,8H2,1-7H3
InChIKeyFAIHVMWRLDMMSF-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one?
The IUPAC name of 2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one (CID 18739783) is 2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one.
What is the SMILES notation for 2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one?
The canonical SMILES for 2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one is CC(C)C(=O)CC(C)(C)N(C)C(C)C.
What is the InChIKey of 2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one?
The InChIKey is FAIHVMWRLDMMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(14)8-12(5,6)13(7)10(3)4/h9-10H,8H2,1-7H3.
What are the key properties of 2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one?
2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one has a molecular weight of 199.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-[methyl(propan-2-yl)amino]hexan-3-one is sourced from PubChem (CID 18739783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).