(1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane

C15H28N2 — CID 11096621

IUPAC(1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane
SMILESCC[C@@H]1CC[C@@H](CC)N1C[C@@H]1N[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H28N2/c1-3-13-7-8-14(4-2)17(13)10-15-11-5-6-12(9-11)16-15/h11-16H,3-10H2,1-2H3/t11-,12+,13-,14-,15+/m1/s1
InChIKeyFDVVHROWJZMSJV-KHMAMNHCSA-N
MW236.40 g/mol
LogP2.78
Rot. Bonds4

About (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane

(1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane (PubChem CID 11096621) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane
PubChem CID11096621
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane
SMILESCC[C@@H]1CC[C@@H](CC)N1C[C@@H]1N[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H28N2/c1-3-13-7-8-14(4-2)17(13)10-15-11-5-6-12(9-11)16-15/h11-16H,3-10H2,1-2H3/t11-,12+,13-,14-,15+/m1/s1
InChIKeyFDVVHROWJZMSJV-KHMAMNHCSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-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 (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane (CID 11096621) is (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane is CC[C@@H]1CC[C@@H](CC)N1C[C@@H]1N[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane?
The InChIKey is FDVVHROWJZMSJV-KHMAMNHCSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-13-7-8-14(4-2)17(13)10-15-11-5-6-12(9-11)16-15/h11-16H,3-10H2,1-2H3/t11-,12+,13-,14-,15+/m1/s1.
What are the key properties of (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane?
(1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane has a molecular weight of 236.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 11096621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).