N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine

C8H18N2O — CID 143098754

IUPACN-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine
SMILESCN(C)OCCN1CCCC1
InChIInChI=1S/C8H18N2O/c1-9(2)11-8-7-10-5-3-4-6-10/h3-8H2,1-2H3
InChIKeyUUBOCKIKZNHDEI-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.58
Rot. Bonds4

About N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine

N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine (PubChem CID 143098754) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine.

Molecular Properties

Compound NameN-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine
PubChem CID143098754
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine
SMILESCN(C)OCCN1CCCC1
InChIInChI=1S/C8H18N2O/c1-9(2)11-8-7-10-5-3-4-6-10/h3-8H2,1-2H3
InChIKeyUUBOCKIKZNHDEI-UHFFFAOYSA-N
XLogP0.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-(2-pyrrolidin-1-ylethoxy)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-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine?
The IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine (CID 143098754) is N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine.
What is the SMILES notation for N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine?
The canonical SMILES for N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine is CN(C)OCCN1CCCC1.
What is the InChIKey of N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine?
The InChIKey is UUBOCKIKZNHDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-9(2)11-8-7-10-5-3-4-6-10/h3-8H2,1-2H3.
What are the key properties of N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine?
N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine has a molecular weight of 158.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine is sourced from PubChem (CID 143098754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).