3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid

C11H23NO2 — CID 59060587

IUPAC3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid
SMILESCC(CCCN(C)C(C)C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-9(2)12(4)7-5-6-10(3)8-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyGBNLHMMXZYSZEB-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds7

About 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid

3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid (PubChem CID 59060587) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid
PubChem CID59060587
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid
SMILESCC(CCCN(C)C(C)C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-9(2)12(4)7-5-6-10(3)8-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyGBNLHMMXZYSZEB-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid?
The IUPAC name of 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid (CID 59060587) is 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid.
What is the SMILES notation for 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid?
The canonical SMILES for 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid is CC(CCCN(C)C(C)C)CC(=O)O.
What is the InChIKey of 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid?
The InChIKey is GBNLHMMXZYSZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)12(4)7-5-6-10(3)8-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid?
3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid is sourced from PubChem (CID 59060587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).