methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane

C22H50N4 — CID 157360327

IUPACmethane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
SMILESC.C.C.CC(C)N1CCN2CCC1C2.CC(C)N1CCN2CCC1CC2
InChIInChI=1S/C10H20N2.C9H18N2.3CH4/c1-9(2)12-8-7-11-5-3-10(12)4-6-11;1-8(2)11-6-5-10-4-3-9(11)7-10;;;/h9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3*1H4
InChIKeyBIOIWNFNAOKJPL-UHFFFAOYSA-N
MW370.67 g/mol
LogP3.87
Rot. Bonds2

About methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane

methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane (PubChem CID 157360327) has the molecular formula C22H50N4 and a molecular weight of 370.67 g/mol. Its IUPAC name is methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Namemethane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
PubChem CID157360327
Molecular FormulaC22H50N4
Molecular Weight370.67 g/mol
Exact Mass370.40
IUPAC Namemethane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
SMILESC.C.C.CC(C)N1CCN2CCC1C2.CC(C)N1CCN2CCC1CC2
InChIInChI=1S/C10H20N2.C9H18N2.3CH4/c1-9(2)12-8-7-11-5-3-10(12)4-6-11;1-8(2)11-6-5-10-4-3-9(11)7-10;;;/h9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3*1H4
InChIKeyBIOIWNFNAOKJPL-UHFFFAOYSA-N
XLogP3.87
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
The IUPAC name of methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane (CID 157360327) is methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane.
What is the SMILES notation for methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
The canonical SMILES for methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane is C.C.C.CC(C)N1CCN2CCC1C2.CC(C)N1CCN2CCC1CC2.
What is the InChIKey of methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
The InChIKey is BIOIWNFNAOKJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C9H18N2.3CH4/c1-9(2)12-8-7-11-5-3-10(12)4-6-11;1-8(2)11-6-5-10-4-3-9(11)7-10;;;/h9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3*1H4.
What are the key properties of methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane has a molecular weight of 370.67 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 157360327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).