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

C41H86N4 — CID 159733631

IUPAC1,3-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
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
InChIInChI=1S/2C11H23N.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;1-8(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;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyNBNYLCCENNOTAR-UHFFFAOYSA-N
MW635.17 g/mol
LogP9.88
Rot. Bonds8

About 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

1,3-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 (PubChem CID 159733631) has the molecular formula C41H86N4 and a molecular weight of 635.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID159733631
Molecular FormulaC41H86N4
Molecular Weight635.17 g/mol
Exact Mass634.69
IUPAC Name1,3-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
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
InChIInChI=1S/2C11H23N.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;1-8(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;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyNBNYLCCENNOTAR-UHFFFAOYSA-N
XLogP9.88
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.17
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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-[1-[1-[2-(1-Propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
CID 124196932
1-[1-[1-[1-(1-Propan-2-ylazetidin-2-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
CID 126746251
4-[2-(Azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine
CID 130223859
1-[1-[1-[1-(1-Propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
CID 130450358
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;ethane;1-methyl-2-propan-2-ylpyrrolidine
CID 143169639
3-[2-[3-[2-(Azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
CID 146610244
4-[3-[3-[4-(3-Methylazetidin-1-yl)butan-2-yl]pyrrolidin-1-yl]butyl]-1-propan-2-ylpiperidine
CID 155048141
8-Propan-2-yl-2-[5-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-2-yl]-2,8-diazaspiro[4.5]decane
CID 156039914
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.
What is the InChIKey of 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?
The InChIKey is NBNYLCCENNOTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.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;1-8(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;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;1,3-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;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine has a molecular weight of 635.17 g/mol, XLogP of 9.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159733631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).