3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine

C11H22N2O — CID 107424747

IUPAC3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CCC(CNC2(C)CCNC2)O1
InChIInChI=1S/C11H22N2O/c1-9-3-4-10(14-9)7-13-11(2)5-6-12-8-11/h9-10,12-13H,3-8H2,1-2H3
InChIKeyATMSQSGPRFCSMX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.90
Rot. Bonds3

About 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine

3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 107424747) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine
PubChem CID107424747
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CCC(CNC2(C)CCNC2)O1
InChIInChI=1S/C11H22N2O/c1-9-3-4-10(14-9)7-13-11(2)5-6-12-8-11/h9-10,12-13H,3-8H2,1-2H3
InChIKeyATMSQSGPRFCSMX-UHFFFAOYSA-N
XLogP0.90
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine 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-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine (CID 107424747) is 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine is CC1CCC(CNC2(C)CCNC2)O1.
What is the InChIKey of 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ATMSQSGPRFCSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-3-4-10(14-9)7-13-11(2)5-6-12-8-11/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine?
3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 107424747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).