3-(dimethylamino)propyl 3-methylbutanoate

C10H21NO2 — CID 58070061

IUPAC3-(dimethylamino)propyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCCCN(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)8-10(12)13-7-5-6-11(3)4/h9H,5-8H2,1-4H3
InChIKeyNXCZDUKNDKLWCC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds6

About 3-(dimethylamino)propyl 3-methylbutanoate

3-(dimethylamino)propyl 3-methylbutanoate (PubChem CID 58070061) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 3-methylbutanoate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 3-methylbutanoate
PubChem CID58070061
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(dimethylamino)propyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCCCN(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)8-10(12)13-7-5-6-11(3)4/h9H,5-8H2,1-4H3
InChIKeyNXCZDUKNDKLWCC-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)propyl 3-methylbutanoate 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

3-(dimethylamino)propyl 3-sulfanylpropanoate
CID 71427111
3-O-[3-(dimethylamino)propyl] 1-O-methyl propanedioate
CID 168950303
nonyl 3-methylbutanoate
CID 5463914
3-(dimethylamino)propyl 2-methyl-2-sulfanylpropanoate
CID 163919328
3-(dimethylamino)propyl 9-methyloctadecanoate
CID 89159646
butyl 4-(dimethylamino)butanoate
CID 89434908
3-[4-(dimethylamino)butoxy]-3-oxopropanoic acid
CID 87400379
ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
3-(dimethylamino)propyl 12-(3-pentyloctanoyloxy)-2-[8-(3-pentyloctanoyloxy)octyl]dodecanoate
CID 118403754
2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate
CID 146564672
[(Z)-oct-4-enyl] 3-methylbutanoate
CID 5352818
16-(dimethylamino)hexadecyl hydrogen carbonate
CID 177225064

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 3-methylbutanoate?
The IUPAC name of 3-(dimethylamino)propyl 3-methylbutanoate (CID 58070061) is 3-(dimethylamino)propyl 3-methylbutanoate.
What is the SMILES notation for 3-(dimethylamino)propyl 3-methylbutanoate?
The canonical SMILES for 3-(dimethylamino)propyl 3-methylbutanoate is CC(C)CC(=O)OCCCN(C)C.
What is the InChIKey of 3-(dimethylamino)propyl 3-methylbutanoate?
The InChIKey is NXCZDUKNDKLWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)8-10(12)13-7-5-6-11(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 3-(dimethylamino)propyl 3-methylbutanoate?
3-(dimethylamino)propyl 3-methylbutanoate has a molecular weight of 187.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 3-methylbutanoate is sourced from PubChem (CID 58070061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).