3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane

C18H32N2 — CID 138616809

IUPAC3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2CC[C@@H]1CCC2CCC1N2C
InChIInChI=1S/C18H32N2/c1-13-11-16-5-6-17(12-13)20(16)10-9-14-3-4-15-7-8-18(14)19(15)2/h13-18H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18?/m0/s1
InChIKeyYIYKJAPDUVXSCG-QMAVLZLYSA-N
MW276.47 g/mol
LogP3.51
Rot. Bonds3

About 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane

3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane (PubChem CID 138616809) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane
PubChem CID138616809
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2CC[C@@H]1CCC2CCC1N2C
InChIInChI=1S/C18H32N2/c1-13-11-16-5-6-17(12-13)20(16)10-9-14-3-4-15-7-8-18(14)19(15)2/h13-18H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18?/m0/s1
InChIKeyYIYKJAPDUVXSCG-QMAVLZLYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane (CID 138616809) is 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane is CC1CC2CCC(C1)N2CC[C@@H]1CCC2CCC1N2C.
What is the InChIKey of 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is YIYKJAPDUVXSCG-QMAVLZLYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13-11-16-5-6-17(12-13)20(16)10-9-14-3-4-15-7-8-18(14)19(15)2/h13-18H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18?/m0/s1.
What are the key properties of 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane?
3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 276.47 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 138616809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).