1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine

C35H77N7 — CID 159723313

IUPAC1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine
SMILESCC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1.CC1CN1C.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.C6H14N2.C6H13N.C5H11N.C4H9N/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5-3-6(2)4-5;1-4-3-5(4)2/h2*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;4H,3H2,1-2H3
InChIKeyNAHYDUWSHMCMQM-UHFFFAOYSA-N
MW596.05 g/mol
LogP4.41
Rot. Bonds

About 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine

1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine (PubChem CID 159723313) has the molecular formula C35H77N7 and a molecular weight of 596.05 g/mol. Its IUPAC name is 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine
PubChem CID159723313
Molecular FormulaC35H77N7
Molecular Weight596.05 g/mol
Exact Mass595.62
IUPAC Name1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine
SMILESCC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1.CC1CN1C.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.C6H14N2.C6H13N.C5H11N.C4H9N/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5-3-6(2)4-5;1-4-3-5(4)2/h2*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;4H,3H2,1-2H3
InChIKeyNAHYDUWSHMCMQM-UHFFFAOYSA-N
XLogP4.41
TPSA22.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.05
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine
CID 157104981
Methane;1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 157230415
3,5-Dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157363951
3,5-Dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157508862
1-Tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 157509433
Ethane;methane;3-methyl-1-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine
CID 157729877
3,5-Dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157971285
1-Methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 158423462
1,4-Dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1-methylpiperidine
CID 158552140
3,5-Dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 160385311
1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 160451818
1,3-Di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 160952794

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine?
The IUPAC name of 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine (CID 159723313) is 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine.
What is the SMILES notation for 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine?
The canonical SMILES for 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine is CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1.CC1CN1C.CN1CCN(C)CC1.
What is the InChIKey of 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine?
The InChIKey is NAHYDUWSHMCMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.C6H14N2.C6H13N.C5H11N.C4H9N/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5-3-6(2)4-5;1-4-3-5(4)2/h2*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine?
1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine has a molecular weight of 596.05 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine is sourced from PubChem (CID 159723313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).