N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine

C12H26N2O — CID 106318664

IUPACN-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine
SMILESCCCOCCN1CCC(C)(CNC)C1
InChIInChI=1S/C12H26N2O/c1-4-8-15-9-7-14-6-5-12(2,11-14)10-13-3/h13H,4-11H2,1-3H3
InChIKeyYELCIHHBTCUXLT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds7

About N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine (PubChem CID 106318664) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine
PubChem CID106318664
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine
SMILESCCCOCCN1CCC(C)(CNC)C1
InChIInChI=1S/C12H26N2O/c1-4-8-15-9-7-14-6-5-12(2,11-14)10-13-3/h13H,4-11H2,1-3H3
InChIKeyYELCIHHBTCUXLT-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine 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

[1-(2-Methoxyethyl)pyrrolidin-3-yl]methanamine
CID 17389989
[3-Methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 105551514
[3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 105551572
N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 106318653
N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 106318773
[3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772448
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120899398
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 120899399
2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 120899727
[1-[2-(2,2-Difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967316
1-[1-(2-Methoxyethyl)pyrrolidin-3-YL]-N-methylmethanamine
CID 17998751
N-[(3-ethoxypyrrolidin-3-yl)methyl]ethanamine
CID 19382174

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine (CID 106318664) is N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine is CCCOCCN1CCC(C)(CNC)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is YELCIHHBTCUXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-8-15-9-7-14-6-5-12(2,11-14)10-13-3/h13H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).