methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine

C26H61N5 — CID 159692806

IUPACmethane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/2C6H13N.C5H11N.C4H9N.C3H7N.2CH4/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4;;/h2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-3H2,1H3;2*1H4
InChIKeyMWPYSHZPJWNXSL-UHFFFAOYSA-N
MW443.81 g/mol
LogP4.44
Rot. Bonds

About methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine

methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 159692806) has the molecular formula C26H61N5 and a molecular weight of 443.81 g/mol. Its IUPAC name is methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID159692806
Molecular FormulaC26H61N5
Molecular Weight443.81 g/mol
Exact Mass443.49
IUPAC Namemethane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/2C6H13N.C5H11N.C4H9N.C3H7N.2CH4/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4;;/h2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-3H2,1H3;2*1H4
InChIKeyMWPYSHZPJWNXSL-UHFFFAOYSA-N
XLogP4.44
TPSA15.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.81
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine 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 methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine (CID 159692806) is methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine is C.C.CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is MWPYSHZPJWNXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.C5H11N.C4H9N.C3H7N.2CH4/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4;;/h2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-3H2,1H3;2*1H4.
What are the key properties of methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine?
methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 443.81 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 159692806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).