methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane

C18H40N2 — CID 157389417

IUPACmethane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
SMILESC.C.C.CN1C2CCC1CC2.CN1C2CCCC1CC2
InChIInChI=1S/C8H15N.C7H13N.3CH4/c1-9-7-3-2-4-8(9)6-5-7;1-8-6-2-3-7(8)5-4-6;;;/h7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;3*1H4
InChIKeyBLVAKKLURIQETG-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.78
Rot. Bonds

About methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane

methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 157389417) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Namemethane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID157389417
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Namemethane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
SMILESC.C.C.CN1C2CCC1CC2.CN1C2CCCC1CC2
InChIInChI=1S/C8H15N.C7H13N.3CH4/c1-9-7-3-2-4-8(9)6-5-7;1-8-6-2-3-7(8)5-4-6;;;/h7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;3*1H4
InChIKeyBLVAKKLURIQETG-UHFFFAOYSA-N
XLogP4.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane (CID 157389417) is methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane is C.C.C.CN1C2CCC1CC2.CN1C2CCCC1CC2.
What is the InChIKey of methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is BLVAKKLURIQETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C7H13N.3CH4/c1-9-7-3-2-4-8(9)6-5-7;1-8-6-2-3-7(8)5-4-6;;;/h7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;3*1H4.
What are the key properties of methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane?
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 284.53 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 157389417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).