(5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one

C11H23NO — CID 118120014

IUPAC(5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one
SMILESCC[C@](C)(CC(C)(C)C(C)=O)NC
InChIInChI=1S/C11H23NO/c1-7-11(5,12-6)8-10(3,4)9(2)13/h12H,7-8H2,1-6H3/t11-/m1/s1
InChIKeyRLBMOCMYCMCKJA-LLVKDONJSA-N
MW185.31 g/mol
LogP2.38
Rot. Bonds5

About (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one

(5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one (PubChem CID 118120014) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one.

Molecular Properties

Compound Name(5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one
PubChem CID118120014
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one
SMILESCC[C@](C)(CC(C)(C)C(C)=O)NC
InChIInChI=1S/C11H23NO/c1-7-11(5,12-6)8-10(3,4)9(2)13/h12H,7-8H2,1-6H3/t11-/m1/s1
InChIKeyRLBMOCMYCMCKJA-LLVKDONJSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one?
The IUPAC name of (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one (CID 118120014) is (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one.
What is the SMILES notation for (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one?
The canonical SMILES for (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one is CC[C@](C)(CC(C)(C)C(C)=O)NC.
What is the InChIKey of (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one?
The InChIKey is RLBMOCMYCMCKJA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO/c1-7-11(5,12-6)8-10(3,4)9(2)13/h12H,7-8H2,1-6H3/t11-/m1/s1.
What are the key properties of (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one?
(5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one has a molecular weight of 185.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one is sourced from PubChem (CID 118120014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).