azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane

C13H29N — CID 157134253

IUPACazane;methane;1-methyl-4-propylbicyclo[2.2.2]octane
SMILESC.CCCC12CCC(C)(CC1)CC2.N
InChIInChI=1S/C12H22.CH4.H3N/c1-3-4-12-8-5-11(2,6-9-12)7-10-12;;/h3-10H2,1-2H3;1H4;1H3
InChIKeyHARPKNCRPQYCLS-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.95
Rot. Bonds2

About azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane

azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane (PubChem CID 157134253) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane.

Molecular Properties

Compound Nameazane;methane;1-methyl-4-propylbicyclo[2.2.2]octane
PubChem CID157134253
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameazane;methane;1-methyl-4-propylbicyclo[2.2.2]octane
SMILESC.CCCC12CCC(C)(CC1)CC2.N
InChIInChI=1S/C12H22.CH4.H3N/c1-3-4-12-8-5-11(2,6-9-12)7-10-12;;/h3-10H2,1-2H3;1H4;1H3
InChIKeyHARPKNCRPQYCLS-UHFFFAOYSA-N
XLogP4.95
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane?
The IUPAC name of azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane (CID 157134253) is azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane.
What is the SMILES notation for azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane?
The canonical SMILES for azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane is C.CCCC12CCC(C)(CC1)CC2.N.
What is the InChIKey of azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane?
The InChIKey is HARPKNCRPQYCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.CH4.H3N/c1-3-4-12-8-5-11(2,6-9-12)7-10-12;;/h3-10H2,1-2H3;1H4;1H3.
What are the key properties of azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane?
azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane has a molecular weight of 199.38 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methane;1-methyl-4-propylbicyclo[2.2.2]octane is sourced from PubChem (CID 157134253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).