2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate

C17H35NO2 — CID 89381853

IUPAC2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate
SMILESCC(C)CCCC(CCC(C)C)OC(=O)CCN(C)C
InChIInChI=1S/C17H35NO2/c1-14(2)8-7-9-16(11-10-15(3)4)20-17(19)12-13-18(5)6/h14-16H,7-13H2,1-6H3
InChIKeyRUXHABXDZBQDSA-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.11
Rot. Bonds11

About 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate

2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate (PubChem CID 89381853) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate.

Molecular Properties

Compound Name2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate
PubChem CID89381853
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate
SMILESCC(C)CCCC(CCC(C)C)OC(=O)CCN(C)C
InChIInChI=1S/C17H35NO2/c1-14(2)8-7-9-16(11-10-15(3)4)20-17(19)12-13-18(5)6/h14-16H,7-13H2,1-6H3
InChIKeyRUXHABXDZBQDSA-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate?
The IUPAC name of 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate (CID 89381853) is 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate.
What is the SMILES notation for 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate?
The canonical SMILES for 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate is CC(C)CCCC(CCC(C)C)OC(=O)CCN(C)C.
What is the InChIKey of 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate?
The InChIKey is RUXHABXDZBQDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-14(2)8-7-9-16(11-10-15(3)4)20-17(19)12-13-18(5)6/h14-16H,7-13H2,1-6H3.
What are the key properties of 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate?
2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate has a molecular weight of 285.47 g/mol, XLogP of 4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyldecan-5-yl 3-(dimethylamino)propanoate is sourced from PubChem (CID 89381853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).