2-(dimethylamino)propyl pentanoate

C10H21NO2 — CID 172879161

IUPAC2-(dimethylamino)propyl pentanoate
SMILESCCCCC(=O)OCC(C)N(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-7-10(12)13-8-9(2)11(3)4/h9H,5-8H2,1-4H3
InChIKeyBJPCMTPKPUQIGF-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds6

About 2-(dimethylamino)propyl pentanoate

2-(dimethylamino)propyl pentanoate (PubChem CID 172879161) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(dimethylamino)propyl pentanoate.

Molecular Properties

Compound Name2-(dimethylamino)propyl pentanoate
PubChem CID172879161
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(dimethylamino)propyl pentanoate
SMILESCCCCC(=O)OCC(C)N(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-7-10(12)13-8-9(2)11(3)4/h9H,5-8H2,1-4H3
InChIKeyBJPCMTPKPUQIGF-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propyl pentanoate?
The IUPAC name of 2-(dimethylamino)propyl pentanoate (CID 172879161) is 2-(dimethylamino)propyl pentanoate.
What is the SMILES notation for 2-(dimethylamino)propyl pentanoate?
The canonical SMILES for 2-(dimethylamino)propyl pentanoate is CCCCC(=O)OCC(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)propyl pentanoate?
The InChIKey is BJPCMTPKPUQIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-7-10(12)13-8-9(2)11(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 2-(dimethylamino)propyl pentanoate?
2-(dimethylamino)propyl pentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propyl pentanoate is sourced from PubChem (CID 172879161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).