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

C34H82N6 — CID 159928621

IUPACmethane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.C.CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N.C5H11N.C4H9N.C3H7N.4CH4/c3*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;;;;/h3*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-3H2,1H3;4*1H4
InChIKeyNZIQIEFCSRVEOU-UHFFFAOYSA-N
MW575.07 g/mol
LogP6.82
Rot. Bonds

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

methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 159928621) has the molecular formula C34H82N6 and a molecular weight of 575.07 g/mol. Its IUPAC name is methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID159928621
Molecular FormulaC34H82N6
Molecular Weight575.07 g/mol
Exact Mass574.66
IUPAC Namemethane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.C.CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N.C5H11N.C4H9N.C3H7N.4CH4/c3*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;;;;/h3*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-3H2,1H3;4*1H4
InChIKeyNZIQIEFCSRVEOU-UHFFFAOYSA-N
XLogP6.82
TPSA19.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.07
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 157924898
CID 157924898
1-Methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158126966
Methane;tris(1-methylpiperidine);1-methylpyrrolidine
CID 158290287
Methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 158830181
1-(2-Methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158830501
Tris(1-methylpiperidine);1-methylpyrrolidine
CID 159155948
Methane;1-methylazetidine;1-methylaziridine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159692806
1-Methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 159965110
Methane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160449292
1-Methylazetidine;1-methylaziridine;1-methylpiperidine;1-methylpyrrolidine
CID 160518244
Methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 160736129
1,4-Dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 161123562

Frequently Asked Questions

What is the IUPAC name of methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine (CID 159928621) is methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine is C.C.C.C.CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is NZIQIEFCSRVEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13N.C5H11N.C4H9N.C3H7N.4CH4/c3*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;;;;/h3*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-3H2,1H3;4*1H4.
What are the key properties of methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine?
methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 575.07 g/mol, XLogP of 6.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 159928621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).