3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine

C33H69N5 — CID 159274253

IUPAC3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2.C11H23N.C10H22N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKYCGGWPOSZGWNF-UHFFFAOYSA-N
MW535.95 g/mol
LogP6.14
Rot. Bonds6

About 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine

3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine (PubChem CID 159274253) has the molecular formula C33H69N5 and a molecular weight of 535.95 g/mol. Its IUPAC name is 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
PubChem CID159274253
Molecular FormulaC33H69N5
Molecular Weight535.95 g/mol
Exact Mass535.56
IUPAC Name3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2.C11H23N.C10H22N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKYCGGWPOSZGWNF-UHFFFAOYSA-N
XLogP6.14
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.95
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

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
1,4-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
1-Methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine
CID 157375211
3,6-Ditert-butyl-3-azabicyclo[3.1.0]hexane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
CID 157734584
Ethane;bis(1-ethyl-4-propan-2-ylpiperazine);3-ethyl-1-propan-2-ylpiperidine;methane
CID 157900583
4-Tert-butylazepane;1-tert-butylpiperazine;3-tert-butylpiperidine;4-tert-butylpiperidine;3-tert-butylpyrrolidine;ethane
CID 157902238
1,4-Di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 157930992
1-Tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine
CID 158109596
1,4-Di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
CID 158138786
1,4-Dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1-methylpiperidine
CID 158552140

Frequently Asked Questions

What is the IUPAC name of 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
The IUPAC name of 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine (CID 159274253) is 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine is CC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
The InChIKey is KYCGGWPOSZGWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H23N.C10H22N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine?
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine has a molecular weight of 535.95 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 159274253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).