1-methylpyrrolidine;N-propan-2-yloxymethanamine

C9H22N2O — CID 166533682

IUPAC1-methylpyrrolidine;N-propan-2-yloxymethanamine
SMILESCN1CCCC1.CNOC(C)C
InChIInChI=1S/C5H11N.C4H11NO/c1-6-4-2-3-5-6;1-4(2)6-5-3/h2-5H2,1H3;4-5H,1-3H3
InChIKeyJBPTZNIUJSJNNY-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.26
Rot. Bonds2

About 1-methylpyrrolidine;N-propan-2-yloxymethanamine

1-methylpyrrolidine;N-propan-2-yloxymethanamine (PubChem CID 166533682) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-methylpyrrolidine;N-propan-2-yloxymethanamine.

Molecular Properties

Compound Name1-methylpyrrolidine;N-propan-2-yloxymethanamine
PubChem CID166533682
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-methylpyrrolidine;N-propan-2-yloxymethanamine
SMILESCN1CCCC1.CNOC(C)C
InChIInChI=1S/C5H11N.C4H11NO/c1-6-4-2-3-5-6;1-4(2)6-5-3/h2-5H2,1H3;4-5H,1-3H3
InChIKeyJBPTZNIUJSJNNY-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methylpyrrolidine;N-propan-2-yloxymethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylpyrrolidin-3-yl)oxymethanamine
CID 117126703
N-(2-pyrrolidin-1-ylethoxy)methanamine
CID 117126758
N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 117126803
N-methoxymethanamine;1-methylpyrrolidine
CID 141862598
N-cyclopropyloxymethanamine;1-methylpyrrolidine
CID 166533188
O-cyclopropylhydroxylamine;1-methylpyrrolidine
CID 166533297
1-methylpyrrolidine;O-propan-2-ylhydroxylamine
CID 166533947
O-cyclopropylhydroxylamine;ethane;1-methylpyrrolidine
CID 166533960
ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine
CID 169182154
N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine
CID 169201787
ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 177004561
N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine
CID 64974363

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine;N-propan-2-yloxymethanamine?
The IUPAC name of 1-methylpyrrolidine;N-propan-2-yloxymethanamine (CID 166533682) is 1-methylpyrrolidine;N-propan-2-yloxymethanamine.
What is the SMILES notation for 1-methylpyrrolidine;N-propan-2-yloxymethanamine?
The canonical SMILES for 1-methylpyrrolidine;N-propan-2-yloxymethanamine is CN1CCCC1.CNOC(C)C.
What is the InChIKey of 1-methylpyrrolidine;N-propan-2-yloxymethanamine?
The InChIKey is JBPTZNIUJSJNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H11NO/c1-6-4-2-3-5-6;1-4(2)6-5-3/h2-5H2,1H3;4-5H,1-3H3.
What are the key properties of 1-methylpyrrolidine;N-propan-2-yloxymethanamine?
1-methylpyrrolidine;N-propan-2-yloxymethanamine has a molecular weight of 174.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine;N-propan-2-yloxymethanamine is sourced from PubChem (CID 166533682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).