6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane

C25H47N3O — CID 166886130

IUPAC6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CC(CC(C)N3CCC(CC(C)(C)N4CCCC4C)C3)C(C1)O2
InChIInChI=1S/C25H47N3O/c1-18(2)27-16-23-13-22(24(17-27)29-23)12-20(4)26-11-9-21(15-26)14-25(5,6)28-10-7-8-19(28)3/h18-24H,7-17H2,1-6H3
InChIKeyKRGJBUFKTAMMQW-UHFFFAOYSA-N
MW405.67 g/mol
LogP4.24
Rot. Bonds7

About 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane

6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 166886130) has the molecular formula C25H47N3O and a molecular weight of 405.67 g/mol. Its IUPAC name is 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID166886130
Molecular FormulaC25H47N3O
Molecular Weight405.67 g/mol
Exact Mass405.37
IUPAC Name6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CC(CC(C)N3CCC(CC(C)(C)N4CCCC4C)C3)C(C1)O2
InChIInChI=1S/C25H47N3O/c1-18(2)27-16-23-13-22(24(17-27)29-23)12-20(4)26-11-9-21(15-26)14-25(5,6)28-10-7-8-19(28)3/h18-24H,7-17H2,1-6H3
InChIKeyKRGJBUFKTAMMQW-UHFFFAOYSA-N
XLogP4.24
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.67
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane (CID 166886130) is 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane is CC(C)N1CC2CC(CC(C)N3CCC(CC(C)(C)N4CCCC4C)C3)C(C1)O2.
What is the InChIKey of 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is KRGJBUFKTAMMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N3O/c1-18(2)27-16-23-13-22(24(17-27)29-23)12-20(4)26-11-9-21(15-26)14-25(5,6)28-10-7-8-19(28)3/h18-24H,7-17H2,1-6H3.
What are the key properties of 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 405.67 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[2-methyl-2-(2-methylpyrrolidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 166886130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).