1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine

C15H29NO — CID 71234493

IUPAC1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine
SMILESCC(C)C1CCC(OCCN2CCCC2)CC1
InChIInChI=1S/C15H29NO/c1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16/h13-15H,3-12H2,1-2H3
InChIKeyNAPAQKVOYUNUJL-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.31
Rot. Bonds5

About 1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine

1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine (PubChem CID 71234493) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine
PubChem CID71234493
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine
SMILESCC(C)C1CCC(OCCN2CCCC2)CC1
InChIInChI=1S/C15H29NO/c1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16/h13-15H,3-12H2,1-2H3
InChIKeyNAPAQKVOYUNUJL-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine (CID 71234493) is 1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine is CC(C)C1CCC(OCCN2CCCC2)CC1.
What is the InChIKey of 1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine?
The InChIKey is NAPAQKVOYUNUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine?
1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine has a molecular weight of 239.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine is sourced from PubChem (CID 71234493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).