2-methylpropyl 6-(methylamino)hexanoate

C11H23NO2 — CID 135294168

IUPAC2-methylpropyl 6-(methylamino)hexanoate
SMILESCNCCCCCC(=O)OCC(C)C
InChIInChI=1S/C11H23NO2/c1-10(2)9-14-11(13)7-5-4-6-8-12-3/h10,12H,4-9H2,1-3H3
InChIKeyOVCUEWCJXDDGDQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.97
Rot. Bonds8

About 2-methylpropyl 6-(methylamino)hexanoate

2-methylpropyl 6-(methylamino)hexanoate (PubChem CID 135294168) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methylpropyl 6-(methylamino)hexanoate.

Molecular Properties

Compound Name2-methylpropyl 6-(methylamino)hexanoate
PubChem CID135294168
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methylpropyl 6-(methylamino)hexanoate
SMILESCNCCCCCC(=O)OCC(C)C
InChIInChI=1S/C11H23NO2/c1-10(2)9-14-11(13)7-5-4-6-8-12-3/h10,12H,4-9H2,1-3H3
InChIKeyOVCUEWCJXDDGDQ-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 6-(butoxycarbonylamino)hexanoate
CID 91734843
ethyl 6-(methylamino)hexanoate;hydrochloride
CID 87871170
10-O-(2-chloropropyl) 1-O-(2-methylpropyl) decanedioate
CID 91739454
butyl 6-(methylamino)hexanoate
CID 14437323
2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate
CID 134487391
2-methylpropyl 7,7-dimethyloctanoate
CID 118937193
2-methylpropyl 5-methoxypentanoate
CID 134561762
1-O-decyl 7-O-(2-methylpropyl) heptanedioate
CID 91718362
1-O-(2-methylpropyl) 10-O-(2,2,2-trichloroethyl) decanedioate
CID 91692835
[(2R)-2-hydroxy-3-(10-methylundecanoyloxy)propyl] 19-methylicosanoate
CID 131799441
6-O-(2,4-dimethylpentan-3-yl) 1-O-(2-methylpropyl) hexanedioate
CID 91713820
[(2R)-2-hydroxy-3-(14-methylpentadecanoyloxy)propyl] 17-methyloctadecanoate
CID 131799984

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 6-(methylamino)hexanoate?
The IUPAC name of 2-methylpropyl 6-(methylamino)hexanoate (CID 135294168) is 2-methylpropyl 6-(methylamino)hexanoate.
What is the SMILES notation for 2-methylpropyl 6-(methylamino)hexanoate?
The canonical SMILES for 2-methylpropyl 6-(methylamino)hexanoate is CNCCCCCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 6-(methylamino)hexanoate?
The InChIKey is OVCUEWCJXDDGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)9-14-11(13)7-5-4-6-8-12-3/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-methylpropyl 6-(methylamino)hexanoate?
2-methylpropyl 6-(methylamino)hexanoate has a molecular weight of 201.31 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 6-(methylamino)hexanoate is sourced from PubChem (CID 135294168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).