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

C31H67N5 — CID 159718492

IUPAC1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine
SMILESCC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1
InChIInChI=1S/2C7H15N.2C6H13N.C5H11N/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-6(2)4-5/h2*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyMZSQNVDAXUNQKP-UHFFFAOYSA-N
MW509.91 g/mol
LogP5.32
Rot. Bonds

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

1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine (PubChem CID 159718492) has the molecular formula C31H67N5 and a molecular weight of 509.91 g/mol. Its IUPAC name is 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine
PubChem CID159718492
Molecular FormulaC31H67N5
Molecular Weight509.91 g/mol
Exact Mass509.54
IUPAC Name1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine
SMILESCC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1
InChIInChI=1S/2C7H15N.2C6H13N.C5H11N/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-6(2)4-5/h2*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyMZSQNVDAXUNQKP-UHFFFAOYSA-N
XLogP5.32
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.91
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine with MolForge

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Related Compounds

3-Methyl-5-azoniaspiro[4.5]decane;9-methyl-5-azoniaspiro[4.5]decane
CID 145661399
(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155184387
2-Propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155184442
propane;(1S,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155702569
Propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155702617
(3R)-2-ethyl-8-[5-[(3S)-8-ethyl-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]pentan-2-yl]-3-methyl-2,8-diazaspiro[4.5]decane
CID 156191330
2,8-Di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane
CID 156709747
1,3-Di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine
CID 157370694
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 157442108
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
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
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 158224519

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine?
The IUPAC name of 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine (CID 159718492) is 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine.
What is the SMILES notation for 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine?
The canonical SMILES for 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine is CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1.
What is the InChIKey of 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine?
The InChIKey is MZSQNVDAXUNQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.2C6H13N.C5H11N/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-6(2)4-5/h2*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine?
1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine has a molecular weight of 509.91 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine is sourced from PubChem (CID 159718492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).