1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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

C62H129N7 — CID 158271104

IUPAC1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CC2(C1)CN(C(C)C)C2
InChIInChI=1S/C11H22N2.2C11H23N.2C10H21N.C9H19N/c1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h9-10H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyGJARTJFWYGNUJL-UHFFFAOYSA-N
MW972.76 g/mol
LogP13.82
Rot. Bonds12

About 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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

1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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 (PubChem CID 158271104) has the molecular formula C62H129N7 and a molecular weight of 972.76 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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.

Molecular Properties

Compound Name1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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
PubChem CID158271104
Molecular FormulaC62H129N7
Molecular Weight972.76 g/mol
Exact Mass972.03
IUPAC Name1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CC2(C1)CN(C(C)C)C2
InChIInChI=1S/C11H22N2.2C11H23N.2C10H21N.C9H19N/c1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h9-10H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyGJARTJFWYGNUJL-UHFFFAOYSA-N
XLogP13.82
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.76
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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 with MolForge

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Related Compounds

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
bis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
CID 157462762
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);ethane
CID 157465865
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
CID 157557675
2,6-Di(propan-2-yl)-2-azaspiro[3.3]heptane;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 158068005
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 158224519
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-methylazetidine;1-methylpiperidine;1-methylpyrrolidine
CID 159478610
2,7-Di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)
CID 159565538
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine
CID 159718492
1,3-Di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 159733631
1,3-Ditert-butylazetidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;ethane
CID 159882781
2,6-Di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane
CID 159931705

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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?
The IUPAC name of 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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 158271104) is 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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.
What is the SMILES notation for 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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?
The canonical SMILES for 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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 is CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CC2(C1)CN(C(C)C)C2.
What is the InChIKey of 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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?
The InChIKey is GJARTJFWYGNUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.2C11H23N.2C10H21N.C9H19N/c1-9(2)12-5-11(6-12)7-13(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h9-10H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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?
1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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 has a molecular weight of 972.76 g/mol, XLogP of 13.82, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;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 is sourced from PubChem (CID 158271104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).