3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl

C9H19N2O — CID 3035479

IUPAC—
SMILESCC1(C)CC(CN)C(C)(C)N1[O]
InChIInChI=1S/C9H19N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7H,5-6,10H2,1-4H3
InChIKeyMMNYKXJVNIIIEG-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.17
Rot. Bonds1

About 3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl

3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl (PubChem CID 3035479) has the molecular formula C9H19N2O and a molecular weight of 171.26 g/mol.

Molecular Properties

Compound Name3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl
PubChem CID3035479
Molecular FormulaC9H19N2O
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC Name—
SMILESCC1(C)CC(CN)C(C)(C)N1[O]
InChIInChI=1S/C9H19N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7H,5-6,10H2,1-4H3
InChIKeyMMNYKXJVNIIIEG-UHFFFAOYSA-N
XLogP1.17
TPSA49.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl 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-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl?
The IUPAC name of 3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl (CID 3035479) is not available.
What is the SMILES notation for 3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl?
The canonical SMILES for 3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl is CC1(C)CC(CN)C(C)(C)N1[O].
What is the InChIKey of 3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl?
The InChIKey is MMNYKXJVNIIIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7H,5-6,10H2,1-4H3.
What are the key properties of 3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl?
3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl has a molecular weight of 171.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminomethyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-N-oxyl is sourced from PubChem (CID 3035479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).