2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate

C14H29NO2 — CID 88569261

IUPAC2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCN(C)C)C(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)10-14(5,12(3)4)13(16)17-9-8-15(6)7/h11-12H,8-10H2,1-7H3
InChIKeyUEAHMURBCJKWJZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.80
Rot. Bonds7

About 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate

2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 88569261) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID88569261
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCN(C)C)C(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)10-14(5,12(3)4)13(16)17-9-8-15(6)7/h11-12H,8-10H2,1-7H3
InChIKeyUEAHMURBCJKWJZ-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate (CID 88569261) is 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate is CC(C)CC(C)(C(=O)OCCN(C)C)C(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is UEAHMURBCJKWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)10-14(5,12(3)4)13(16)17-9-8-15(6)7/h11-12H,8-10H2,1-7H3.
What are the key properties of 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 243.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 88569261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).