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

C48H96N8 — CID 160598494

IUPAC3-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
SMILESCC(C)N1C2CCC1CN(C(C)(C)C)C2.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CC2CCC1CN2C(C)C
InChIInChI=1S/C13H26N2.2C12H24N2.C11H22N2/c1-10(2)15-11-6-7-12(15)9-14(8-11)13(3,4)5;1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h10-12H,6-9H2,1-5H3;2*9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3
InChIKeyRDYNIORADVMBGF-UHFFFAOYSA-N
MW785.35 g/mol
LogP7.81
Rot. Bonds7

About 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

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 (PubChem CID 160598494) has the molecular formula C48H96N8 and a molecular weight of 785.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID160598494
Molecular FormulaC48H96N8
Molecular Weight785.35 g/mol
Exact Mass784.78
IUPAC Name3-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
SMILESCC(C)N1C2CCC1CN(C(C)(C)C)C2.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CC2CCC1CN2C(C)C
InChIInChI=1S/C13H26N2.2C12H24N2.C11H22N2/c1-10(2)15-11-6-7-12(15)9-14(8-11)13(3,4)5;1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h10-12H,6-9H2,1-5H3;2*9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3
InChIKeyRDYNIORADVMBGF-UHFFFAOYSA-N
XLogP7.81
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.35
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

4-Tert-butyl-1,4-diazabicyclo[3.2.2]nonane;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;3-tert-butyl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane;methane
CID 157376407
1,4-diethylpiperazine;1-ethyl-N,N-dimethylpiperidin-3-amine;1-ethyl-N,N-dimethylpiperidin-4-amine;1-ethyl-N,N-dimethylpyrrolidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-4-amine;1-ethyl-N,N-di(propan-2-yl)pyrrolidin-3-amine;1-ethyl-N,N-dipropylpiperidin-3-amine;1-ethyl-N,N-dipropylpiperidin-4-amine;1-ethyl-N,N-dipropylpyrrolidin-3-amine;1-ethyl-4-methylpiperazine;1-ethyl-4-propan-2-ylpiperazine;N,N,1-triethylpiperidin-3-amine;N,N,1-triethylpiperidin-4-amine;N,N,1-triethylpyrrolidin-3-amine
CID 158143071
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
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane
CID 159475883
Carbanide;bis(2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane);bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);bis(tungsten(2+))
CID 159714210
8-Tert-butyl-3-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
CID 159970504
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;1-methyl-4-propan-2-yl-1,4-diazepane
CID 160558894
2-(2,2-Dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-(2,2-dimethylpropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-(2,2-dimethylpropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 160722860
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
(1S,5R)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;1-tert-butylpyrrolidine;carbanide;ethane;(2S)-2-methyl-1-propan-2-ylpiperazin-4-ide;(1S,4S)-2-propan-2-yl-2-aza-5-azanidabicyclo[2.2.1]heptane;1-propan-2-ylpiperazin-4-ide;1-propan-2-ylpiperidine;tetrakis(yttrium)
CID 161053301
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1C2CCC1CN(C(C)(C)C)C2.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CC2CCC1CN2C(C)C.
What is the InChIKey of 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?
The InChIKey is RDYNIORADVMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2C12H24N2.C11H22N2/c1-10(2)15-11-6-7-12(15)9-14(8-11)13(3,4)5;1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h10-12H,6-9H2,1-5H3;2*9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 785.35 g/mol, XLogP of 7.81, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160598494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).