5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane

C26H50N2 — CID 130253305

IUPAC5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1CC2CC1CN2C(C)(C)CCC(C)(C)C1CCCN1C(C)(C)C
InChIInChI=1S/C26H50N2/c1-23(2,3)21-17-20-16-19(21)18-28(20)26(9,10)14-13-25(7,8)22-12-11-15-27(22)24(4,5)6/h19-22H,11-18H2,1-10H3
InChIKeyQROHTLSTGSJGFV-UHFFFAOYSA-N
MW390.70 g/mol
LogP6.59
Rot. Bonds5

About 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane

5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane (PubChem CID 130253305) has the molecular formula C26H50N2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane
PubChem CID130253305
Molecular FormulaC26H50N2
Molecular Weight390.70 g/mol
Exact Mass390.40
IUPAC Name5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1CC2CC1CN2C(C)(C)CCC(C)(C)C1CCCN1C(C)(C)C
InChIInChI=1S/C26H50N2/c1-23(2,3)21-17-20-16-19(21)18-28(20)26(9,10)14-13-25(7,8)22-12-11-15-27(22)24(4,5)6/h19-22H,11-18H2,1-10H3
InChIKeyQROHTLSTGSJGFV-UHFFFAOYSA-N
XLogP6.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane (CID 130253305) is 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane is CC(C)(C)C1CC2CC1CN2C(C)(C)CCC(C)(C)C1CCCN1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane?
The InChIKey is QROHTLSTGSJGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2/c1-23(2,3)21-17-20-16-19(21)18-28(20)26(9,10)14-13-25(7,8)22-12-11-15-27(22)24(4,5)6/h19-22H,11-18H2,1-10H3.
What are the key properties of 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane?
5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane has a molecular weight of 390.70 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 130253305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).