3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol

C9H20N2O — CID 83846268

IUPAC3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol
SMILESCC1CC(O)(CN)C(C)(C)N1C
InChIInChI=1S/C9H20N2O/c1-7-5-9(12,6-10)8(2,3)11(7)4/h7,12H,5-6,10H2,1-4H3
InChIKeyADMAZVLHSYQNMY-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds1

About 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol

3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol (PubChem CID 83846268) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol
PubChem CID83846268
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol
SMILESCC1CC(O)(CN)C(C)(C)N1C
InChIInChI=1S/C9H20N2O/c1-7-5-9(12,6-10)8(2,3)11(7)4/h7,12H,5-6,10H2,1-4H3
InChIKeyADMAZVLHSYQNMY-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol 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-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol (CID 83846268) is 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol is CC1CC(O)(CN)C(C)(C)N1C.
What is the InChIKey of 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol?
The InChIKey is ADMAZVLHSYQNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7-5-9(12,6-10)8(2,3)11(7)4/h7,12H,5-6,10H2,1-4H3.
What are the key properties of 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol?
3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,2,2,5-tetramethylpyrrolidin-3-ol is sourced from PubChem (CID 83846268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).