methyl 4-(dimethylamino)-2,4-dimethylpentanoate

C10H21NO2 — CID 166717174

IUPACmethyl 4-(dimethylamino)-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)CC(C)(C)N(C)C
InChIInChI=1S/C10H21NO2/c1-8(9(12)13-6)7-10(2,3)11(4)5/h8H,7H2,1-6H3
InChIKeyIKQPAJHAKLAFJP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds4

About methyl 4-(dimethylamino)-2,4-dimethylpentanoate

methyl 4-(dimethylamino)-2,4-dimethylpentanoate (PubChem CID 166717174) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 4-(dimethylamino)-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-(dimethylamino)-2,4-dimethylpentanoate
PubChem CID166717174
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 4-(dimethylamino)-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)CC(C)(C)N(C)C
InChIInChI=1S/C10H21NO2/c1-8(9(12)13-6)7-10(2,3)11(4)5/h8H,7H2,1-6H3
InChIKeyIKQPAJHAKLAFJP-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(dimethylamino)-2,4-dimethylpentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylamino)-2,4-dimethylpentanoate?
The IUPAC name of methyl 4-(dimethylamino)-2,4-dimethylpentanoate (CID 166717174) is methyl 4-(dimethylamino)-2,4-dimethylpentanoate.
What is the SMILES notation for methyl 4-(dimethylamino)-2,4-dimethylpentanoate?
The canonical SMILES for methyl 4-(dimethylamino)-2,4-dimethylpentanoate is COC(=O)C(C)CC(C)(C)N(C)C.
What is the InChIKey of methyl 4-(dimethylamino)-2,4-dimethylpentanoate?
The InChIKey is IKQPAJHAKLAFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(9(12)13-6)7-10(2,3)11(4)5/h8H,7H2,1-6H3.
What are the key properties of methyl 4-(dimethylamino)-2,4-dimethylpentanoate?
methyl 4-(dimethylamino)-2,4-dimethylpentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylamino)-2,4-dimethylpentanoate is sourced from PubChem (CID 166717174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).