N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine

C7H16N2O — CID 137474492

IUPACN-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine
SMILESCNOC[C@H]1CCN(C)C1
InChIInChI=1S/C7H16N2O/c1-8-10-6-7-3-4-9(2)5-7/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyDWDGSARXFBZVEJ-ZETCQYMHSA-N
MW144.22 g/mol
LogP0.09
Rot. Bonds3

About N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine

N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine (PubChem CID 137474492) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine.

Molecular Properties

Compound NameN-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine
PubChem CID137474492
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine
SMILESCNOC[C@H]1CCN(C)C1
InChIInChI=1S/C7H16N2O/c1-8-10-6-7-3-4-9(2)5-7/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyDWDGSARXFBZVEJ-ZETCQYMHSA-N
XLogP0.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine 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 N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine?
The IUPAC name of N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine (CID 137474492) is N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine.
What is the SMILES notation for N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine?
The canonical SMILES for N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine is CNOC[C@H]1CCN(C)C1.
What is the InChIKey of N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine?
The InChIKey is DWDGSARXFBZVEJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O/c1-8-10-6-7-3-4-9(2)5-7/h7-8H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine?
N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine has a molecular weight of 144.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]methanamine is sourced from PubChem (CID 137474492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).