1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine

C15H29NO — CID 155794049

IUPAC1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
SMILESCN1CCC(C2(COC(C)(C)C)CCCC2)C1
InChIInChI=1S/C15H29NO/c1-14(2,3)17-12-15(8-5-6-9-15)13-7-10-16(4)11-13/h13H,5-12H2,1-4H3
InChIKeySHYAZBGXHQPHII-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.31
Rot. Bonds3

About 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine

1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine (PubChem CID 155794049) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
PubChem CID155794049
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
SMILESCN1CCC(C2(COC(C)(C)C)CCCC2)C1
InChIInChI=1S/C15H29NO/c1-14(2,3)17-12-15(8-5-6-9-15)13-7-10-16(4)11-13/h13H,5-12H2,1-4H3
InChIKeySHYAZBGXHQPHII-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine?
The IUPAC name of 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine (CID 155794049) is 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine.
What is the SMILES notation for 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine?
The canonical SMILES for 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine is CN1CCC(C2(COC(C)(C)C)CCCC2)C1.
What is the InChIKey of 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine?
The InChIKey is SHYAZBGXHQPHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)17-12-15(8-5-6-9-15)13-7-10-16(4)11-13/h13H,5-12H2,1-4H3.
What are the key properties of 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine?
1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine has a molecular weight of 239.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine is sourced from PubChem (CID 155794049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).