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

C51H108N6 — CID 160952794

IUPAC1,3-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
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C11H23N.C10H22N2.C10H21N.C9H19N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeySVZGTPHDQNLIRQ-UHFFFAOYSA-N
MW805.47 g/mol
LogP11.30
Rot. Bonds10

About 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

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 (PubChem CID 160952794) has the molecular formula C51H108N6 and a molecular weight of 805.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID160952794
Molecular FormulaC51H108N6
Molecular Weight805.47 g/mol
Exact Mass804.86
IUPAC Name1,3-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
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C11H23N.C10H22N2.C10H21N.C9H19N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeySVZGTPHDQNLIRQ-UHFFFAOYSA-N
XLogP11.30
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.47
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3,3-Difluoro-1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-fluoro-1,4-di(propan-2-yl)piperidine
CID 165018625
1-Methyl-4-[1-[1-[1-(1-propan-2-ylpiperidin-3-yl)azetidin-3-yl]propan-2-yl]piperidin-4-yl]piperazine
CID 138647381
1-Tert-butyl-4-[[1-[5-[4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 138656878
9-Methyl-3-[2-methyl-3-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]piperidin-4-yl]propyl]-3,9-diazaspiro[5.5]undecane
CID 156188279
1-[(1-tert-butylazetidin-3-yl)methyl]-4-[5-[4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]piperazine
CID 156551344
1-Methyl-4-[1-(1-methylazetidin-3-yl)ethyl]-2-[4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-yl]piperazine
CID 156559229
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
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;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine
CID 157118836
1,4-Di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane
CID 157149607
Ethane;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;methane
CID 157230399
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is SVZGTPHDQNLIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.C10H22N2.C10H21N.C9H19N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;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;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?
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 has a molecular weight of 805.47 g/mol, XLogP of 11.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160952794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).