1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane

C13H26N2O2 — CID 161313953

IUPAC1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane
SMILESC.CC(C)(C)N1CC(N2CCCC2)C1.O=C=O
InChIInChI=1S/C11H22N2.CO2.CH4/c1-11(2,3)13-8-10(9-13)12-6-4-5-7-12;2-1-3;/h10H,4-9H2,1-3H3;;1H4
InChIKeyVJGFOWBSBSBUGO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.62
Rot. Bonds1

About 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane

1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane (PubChem CID 161313953) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane.

Molecular Properties

Compound Name1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane
PubChem CID161313953
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane
SMILESC.CC(C)(C)N1CC(N2CCCC2)C1.O=C=O
InChIInChI=1S/C11H22N2.CO2.CH4/c1-11(2,3)13-8-10(9-13)12-6-4-5-7-12;2-1-3;/h10H,4-9H2,1-3H3;;1H4
InChIKeyVJGFOWBSBSBUGO-UHFFFAOYSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
1-(1-tert-butylazetidin-3-yl)-4,4-dimethylpiperidine
CID 166567337
2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926914
2-(2-methylbut-3-yn-2-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939338
6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 171445186
1-(1-tert-butylpyrrolidin-3-yl)-1,4-diazepane
CID 117004540
1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile
CID 167292339
[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]methanol
CID 167291866
N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine
CID 176816684
1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine
CID 134582344

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane?
The IUPAC name of 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane (CID 161313953) is 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane.
What is the SMILES notation for 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane?
The canonical SMILES for 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane is C.CC(C)(C)N1CC(N2CCCC2)C1.O=C=O.
What is the InChIKey of 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane?
The InChIKey is VJGFOWBSBSBUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.CO2.CH4/c1-11(2,3)13-8-10(9-13)12-6-4-5-7-12;2-1-3;/h10H,4-9H2,1-3H3;;1H4.
What are the key properties of 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane?
1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane has a molecular weight of 242.36 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane is sourced from PubChem (CID 161313953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).