3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane

C17H30N2 — CID 138545681

IUPAC3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(CN1CC3CC(C3)C1)C2
InChIInChI=1S/C17H30N2/c1-12(2)19-16-3-4-17(19)8-15(7-16)11-18-9-13-5-14(6-13)10-18/h12-17H,3-11H2,1-2H3
InChIKeyORKNZKOWYZKMCA-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.98
Rot. Bonds3

About 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane

3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 138545681) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID138545681
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(CN1CC3CC(C3)C1)C2
InChIInChI=1S/C17H30N2/c1-12(2)19-16-3-4-17(19)8-15(7-16)11-18-9-13-5-14(6-13)10-18/h12-17H,3-11H2,1-2H3
InChIKeyORKNZKOWYZKMCA-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane 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 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 138545681) is 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)N1C2CCC1CC(CN1CC3CC(C3)C1)C2.
What is the InChIKey of 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is ORKNZKOWYZKMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)19-16-3-4-17(19)8-15(7-16)11-18-9-13-5-14(6-13)10-18/h12-17H,3-11H2,1-2H3.
What are the key properties of 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 262.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 138545681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).