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

C24H53N5 — CID 158126966

IUPAC1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/2C6H13N.C5H11N.C4H9N.C3H7N/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
InChIKeyFSHKQPHWRUFSIV-UHFFFAOYSA-N
MW411.72 g/mol
LogP3.17
Rot. Bonds

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

1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 158126966) has the molecular formula C24H53N5 and a molecular weight of 411.72 g/mol. Its IUPAC name is 1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Name1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID158126966
Molecular FormulaC24H53N5
Molecular Weight411.72 g/mol
Exact Mass411.43
IUPAC Name1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/2C6H13N.C5H11N.C4H9N.C3H7N/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
InChIKeyFSHKQPHWRUFSIV-UHFFFAOYSA-N
XLogP3.17
TPSA15.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of 1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine (CID 158126966) is 1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for 1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for 1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine is CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of 1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is FSHKQPHWRUFSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.C5H11N.C4H9N.C3H7N/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.
What are the key properties of 1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine?
1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 411.72 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 158126966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).