methyl 4-(dimethylamino)-4-methylpentanoate

C9H19NO2 — CID 166717066

IUPACmethyl 4-(dimethylamino)-4-methylpentanoate
SMILESCOC(=O)CCC(C)(C)N(C)C
InChIInChI=1S/C9H19NO2/c1-9(2,10(3)4)7-6-8(11)12-5/h6-7H2,1-5H3
InChIKeyIGJPIWWPROLGOY-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds4

About methyl 4-(dimethylamino)-4-methylpentanoate

methyl 4-(dimethylamino)-4-methylpentanoate (PubChem CID 166717066) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 4-(dimethylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-(dimethylamino)-4-methylpentanoate
PubChem CID166717066
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 4-(dimethylamino)-4-methylpentanoate
SMILESCOC(=O)CCC(C)(C)N(C)C
InChIInChI=1S/C9H19NO2/c1-9(2,10(3)4)7-6-8(11)12-5/h6-7H2,1-5H3
InChIKeyIGJPIWWPROLGOY-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(dimethylamino)-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl acetate;methyl 4,4-dimethylpentanoate
CID 160958689
methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate
CID 10822287
methyl 4-hydroxy-4-hydroxysulfanylpentanoate
CID 137414269
methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate
CID 102977149
dimethyl 2,2-dimethylhexanedioate
CID 28400
trimethyl 2-methylbutane-1,2,4-tricarboxylate
CID 121224403
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
CID 63965064
methyl 7-hydroxy-4,4-dimethylheptanoate
CID 174794936
dimethyl 4,5-dimethyl-4,5-dinitrooctanedioate
CID 12714361
dimethyl 3,4,4-trimethylheptanedioate
CID 121007817
methyl 6,6-dimethylheptanoate
CID 20777196
methyl 5-bromo-4-chloro-4,5,5-trifluoropentanoate
CID 51342036

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylamino)-4-methylpentanoate?
The IUPAC name of methyl 4-(dimethylamino)-4-methylpentanoate (CID 166717066) is methyl 4-(dimethylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 4-(dimethylamino)-4-methylpentanoate?
The canonical SMILES for methyl 4-(dimethylamino)-4-methylpentanoate is COC(=O)CCC(C)(C)N(C)C.
What is the InChIKey of methyl 4-(dimethylamino)-4-methylpentanoate?
The InChIKey is IGJPIWWPROLGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2,10(3)4)7-6-8(11)12-5/h6-7H2,1-5H3.
What are the key properties of methyl 4-(dimethylamino)-4-methylpentanoate?
methyl 4-(dimethylamino)-4-methylpentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylamino)-4-methylpentanoate is sourced from PubChem (CID 166717066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).