ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine

C12H27NO — CID 155689478

IUPACethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC.CC(C)OCCC1CCN(C)C1
InChIInChI=1S/C10H21NO.C2H6/c1-9(2)12-7-5-10-4-6-11(3)8-10;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyPEISQOZPMWSSKV-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds4

About ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine

ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 155689478) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine
PubChem CID155689478
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC.CC(C)OCCC1CCN(C)C1
InChIInChI=1S/C10H21NO.C2H6/c1-9(2)12-7-5-10-4-6-11(3)8-10;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyPEISQOZPMWSSKV-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine (CID 155689478) is ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine is CC.CC(C)OCCC1CCN(C)C1.
What is the InChIKey of ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is PEISQOZPMWSSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-9(2)12-7-5-10-4-6-11(3)8-10;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine?
ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 155689478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).