2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane

C11H22N2 — CID 176748091

IUPAC2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
SMILESCC(C)N1CC2CCC1CCN2C
InChIInChI=1S/C11H22N2/c1-9(2)13-8-11-5-4-10(13)6-7-12(11)3/h9-11H,4-8H2,1-3H3
InChIKeyCHDLECGUCWBTRW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds1

About 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane

2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane (PubChem CID 176748091) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
PubChem CID176748091
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
SMILESCC(C)N1CC2CCC1CCN2C
InChIInChI=1S/C11H22N2/c1-9(2)13-8-11-5-4-10(13)6-7-12(11)3/h9-11H,4-8H2,1-3H3
InChIKeyCHDLECGUCWBTRW-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
2-propan-2-yl-2-azabicyclo[3.3.2]decane
CID 21027698
(3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 170263057
6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane
CID 167300749
2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane
CID 164848038
6-propan-2-yl-6-azabicyclo[3.2.1]octane
CID 45095908
6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol
CID 117050678
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-methyl-2-propan-2-ylazetidine
CID 23588958
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
(1S,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155702570
(2R,3R)-1,2,3-trimethyl-4-propan-2-ylpiperazine
CID 139548079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane (CID 176748091) is 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane is CC(C)N1CC2CCC1CCN2C.
What is the InChIKey of 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane?
The InChIKey is CHDLECGUCWBTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)13-8-11-5-4-10(13)6-7-12(11)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane?
2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane has a molecular weight of 182.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 176748091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).