bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane

C60H120N10 — CID 163840375

IUPACbis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane
SMILESCC(C)N1CC2CC(C1)N(C(C)C)C2.CC(C)N1CC2CC(C1)N(C(C)C)C2.CC(C)N1CCC2CC(C1)N2C(C)C.CC(C)N1CCC2CC1CN2C(C)C.CC(C)N1CCC2CC1CN2C(C)C
InChIInChI=1S/5C12H24N2/c2*1-9(2)13-6-11-5-12(8-13)14(7-11)10(3)4;2*1-9(2)13-6-5-11-7-12(13)8-14(11)10(3)4;1-9(2)13-6-5-11-7-12(8-13)14(11)10(3)4/h5*9-12H,5-8H2,1-4H3
InChIKeyOLLNYEABFYKJLF-UHFFFAOYSA-N
MW981.69 g/mol
LogP9.47
Rot. Bonds10

About bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane

bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane (PubChem CID 163840375) has the molecular formula C60H120N10 and a molecular weight of 981.69 g/mol. Its IUPAC name is bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane.

Molecular Properties

Compound Namebis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane
PubChem CID163840375
Molecular FormulaC60H120N10
Molecular Weight981.69 g/mol
Exact Mass980.97
IUPAC Namebis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane
SMILESCC(C)N1CC2CC(C1)N(C(C)C)C2.CC(C)N1CC2CC(C1)N(C(C)C)C2.CC(C)N1CCC2CC(C1)N2C(C)C.CC(C)N1CCC2CC1CN2C(C)C.CC(C)N1CCC2CC1CN2C(C)C
InChIInChI=1S/5C12H24N2/c2*1-9(2)13-6-11-5-12(8-13)14(7-11)10(3)4;2*1-9(2)13-6-5-11-7-12(13)8-14(11)10(3)4;1-9(2)13-6-5-11-7-12(8-13)14(11)10(3)4/h5*9-12H,5-8H2,1-4H3
InChIKeyOLLNYEABFYKJLF-UHFFFAOYSA-N
XLogP9.47
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.69
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane with MolForge

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Related Compounds

2,2-Dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine
CID 158562511
3-Tert-butyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 159260360
2,2-dimethyl-1,4-di(propan-2-yl)piperazine;bis((1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane);2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-1,4-di(propan-2-yl)piperazine-2-carbonitrile;(3S)-1,3-di(propan-2-yl)pyrrolidine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine
CID 160020381
1,4-Di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 160115786
3-Tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 160598494
2-(azetidin-1-ylmethyl)-1-methylpyrrolidine;N-cyclopentyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentanamine;N-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentanamine;N-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine;N-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-2-amine;1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]azepane;1-methyl-2-(pyrrolidin-1-ylmethyl)azepane;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 160666336
2-Methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 161038156
Tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine)
CID 161452020
2,5-Di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 161736037
3-Propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 162040228
1,4-Di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine
CID 162266354
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;bis(2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane);2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperidine;bis((2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane);bis((5S)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane);1-propan-2-yl-4-(1-propan-2-ylazetidin-3-yl)piperazine
CID 163502290

Frequently Asked Questions

What is the IUPAC name of bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane?
The IUPAC name of bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane (CID 163840375) is bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane.
What is the SMILES notation for bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane?
The canonical SMILES for bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane is CC(C)N1CC2CC(C1)N(C(C)C)C2.CC(C)N1CC2CC(C1)N(C(C)C)C2.CC(C)N1CCC2CC(C1)N2C(C)C.CC(C)N1CCC2CC1CN2C(C)C.CC(C)N1CCC2CC1CN2C(C)C.
What is the InChIKey of bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane?
The InChIKey is OLLNYEABFYKJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H24N2/c2*1-9(2)13-6-11-5-12(8-13)14(7-11)10(3)4;2*1-9(2)13-6-5-11-7-12(13)8-14(11)10(3)4;1-9(2)13-6-5-11-7-12(8-13)14(11)10(3)4/h5*9-12H,5-8H2,1-4H3.
What are the key properties of bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane?
bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane has a molecular weight of 981.69 g/mol, XLogP of 9.47, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane is sourced from PubChem (CID 163840375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).