methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane

C22H46N2 — CID 158932354

IUPACmethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESC.C.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1
InChIInChI=1S/2C10H19N.2CH4/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;;/h2*8-10H,3-7H2,1-2H3;2*1H4
InChIKeyJJFLCGBCEIOJGJ-UHFFFAOYSA-N
MW338.62 g/mol
LogP5.81
Rot. Bonds2

About methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane

methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 158932354) has the molecular formula C22H46N2 and a molecular weight of 338.62 g/mol. Its IUPAC name is methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Namemethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID158932354
Molecular FormulaC22H46N2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC Namemethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESC.C.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1
InChIInChI=1S/2C10H19N.2CH4/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;;/h2*8-10H,3-7H2,1-2H3;2*1H4
InChIKeyJJFLCGBCEIOJGJ-UHFFFAOYSA-N
XLogP5.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,9-Dimethyl-9-azatricyclo[4.2.1.12,5]decane
CID 57115490
9-Ethyl-9-azatricyclo[4.2.1.12,5]decane
CID 57172667
9-Methyl-9-azatricyclo[4.2.1.12,5]decane
CID 57288268
3-(1-Azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 66793174
8-[1-(1-Methylpiperidin-3-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane
CID 129209375
3-Tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-4-methylpentan-2-yl]-8-azabicyclo[3.2.1]octane
CID 134410977
3-Methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 135188561
3-Tert-butyl-8-[4-(3-tert-butyl-3-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethylpentan-2-yl]-8-azabicyclo[3.2.1]octane
CID 155141370
3,8-Dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylazepane;1,4-dimethylpiperidine
CID 157148540
3,8-Dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine
CID 157566867
3-Propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 157644157
7-Propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 158085726

Frequently Asked Questions

What is the IUPAC name of methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 158932354) is methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane is C.C.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.
What is the InChIKey of methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is JJFLCGBCEIOJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.2CH4/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;;/h2*8-10H,3-7H2,1-2H3;2*1H4.
What are the key properties of methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 338.62 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 158932354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).