7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane

C18H34N2O2 — CID 170012192

IUPAC7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane
SMILESCC(C)N1CCC(OCCC(C)(C)N2CCC3(COC3)C2)C1
InChIInChI=1S/C18H34N2O2/c1-15(2)19-8-5-16(11-19)22-10-7-17(3,4)20-9-6-18(12-20)13-21-14-18/h15-16H,5-14H2,1-4H3
InChIKeyWXZOGHZQGAEQHS-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.38
Rot. Bonds6

About 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane

7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane (PubChem CID 170012192) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane
PubChem CID170012192
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane
SMILESCC(C)N1CCC(OCCC(C)(C)N2CCC3(COC3)C2)C1
InChIInChI=1S/C18H34N2O2/c1-15(2)19-8-5-16(11-19)22-10-7-17(3,4)20-9-6-18(12-20)13-21-14-18/h15-16H,5-14H2,1-4H3
InChIKeyWXZOGHZQGAEQHS-UHFFFAOYSA-N
XLogP2.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane (CID 170012192) is 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane is CC(C)N1CCC(OCCC(C)(C)N2CCC3(COC3)C2)C1.
What is the InChIKey of 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is WXZOGHZQGAEQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-15(2)19-8-5-16(11-19)22-10-7-17(3,4)20-9-6-18(12-20)13-21-14-18/h15-16H,5-14H2,1-4H3.
What are the key properties of 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane?
7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 310.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 170012192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).