1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine

C18H40N4 — CID 160518244

IUPAC1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine
SMILESCN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H11N.C4H9N.C3H7N/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4/h2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-3H2,1H3
InChIKeyQTXZQMYMTAKJJA-UHFFFAOYSA-N
MW312.55 g/mol
LogP2.07
Rot. Bonds

About 1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine

1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine (PubChem CID 160518244) has the molecular formula C18H40N4 and a molecular weight of 312.55 g/mol. Its IUPAC name is 1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine.

Molecular Properties

Compound Name1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine
PubChem CID160518244
Molecular FormulaC18H40N4
Molecular Weight312.55 g/mol
Exact Mass312.33
IUPAC Name1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine
SMILESCN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H11N.C4H9N.C3H7N/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4/h2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-3H2,1H3
InChIKeyQTXZQMYMTAKJJA-UHFFFAOYSA-N
XLogP2.07
TPSA12.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;1-methylpiperidine;1-methylpyrrolidine?
The IUPAC name of 1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine (CID 160518244) is 1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine.
What is the SMILES notation for 1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine?
The canonical SMILES for 1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine is CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.
What is the InChIKey of 1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine?
The InChIKey is QTXZQMYMTAKJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11N.C4H9N.C3H7N/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4/h2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-3H2,1H3.
What are the key properties of 1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine?
1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine has a molecular weight of 312.55 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine is sourced from PubChem (CID 160518244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).