(1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate

C17H33NO2 — CID 166935007

IUPAC(1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate
SMILESCNCC(C)(C(=O)OC1(C(C)C)CCCC1)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-13(2)17(10-8-9-11-17)20-14(19)16(6,12-18-7)15(3,4)5/h13,18H,8-12H2,1-7H3
InChIKeyREFFHEXIXPTAMN-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.77
Rot. Bonds5

About (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate

(1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate (PubChem CID 166935007) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate
PubChem CID166935007
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name(1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate
SMILESCNCC(C)(C(=O)OC1(C(C)C)CCCC1)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-13(2)17(10-8-9-11-17)20-14(19)16(6,12-18-7)15(3,4)5/h13,18H,8-12H2,1-7H3
InChIKeyREFFHEXIXPTAMN-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate?
The IUPAC name of (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate (CID 166935007) is (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate is CNCC(C)(C(=O)OC1(C(C)C)CCCC1)C(C)(C)C.
What is the InChIKey of (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate?
The InChIKey is REFFHEXIXPTAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-13(2)17(10-8-9-11-17)20-14(19)16(6,12-18-7)15(3,4)5/h13,18H,8-12H2,1-7H3.
What are the key properties of (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate?
(1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate has a molecular weight of 283.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate is sourced from PubChem (CID 166935007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).