(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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Related Compounds

3,3,5-trimethyl-5-(propan-2-ylamino)heptan-2-one
CID 166964420
5-acetyl-3,3,5,7,7-pentamethylnonane-2,8-dione
CID 58195604
3-methyl-3-(methylamino)pentanamide
CID 65236243
ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one
CID 144770471
N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide
CID 89136777
2-ethyl-2,4,4-trimethyl-N-[2-[2-(methylamino)ethylamino]ethyl]-5-oxohexanamide
CID 118900851
N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
CID 166130930
6-ethyl-3,3,5,5,6,10,10-heptamethylundec-7-en-2-one
CID 90782124
N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide
CID 138627054
3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide
CID 155031045
3,3,5-trimethyl-5-(propan-2-ylamino)hexan-2-one
CID 164974261
3,3,5,5-tetramethyloctane-2,7-dione
CID 88565088

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).