N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine

C11H21N — CID 118585798

IUPACN-ethyl-4-methylbicyclo[2.2.2]octan-1-amine
SMILESCCNC12CCC(C)(CC1)CC2
InChIInChI=1S/C11H21N/c1-3-12-11-7-4-10(2,5-8-11)6-9-11/h12H,3-9H2,1-2H3
InChIKeyKBRZLZVJNLYAQZ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.71
Rot. Bonds2

About N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine

N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine (PubChem CID 118585798) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylbicyclo[2.2.2]octan-1-amine
PubChem CID118585798
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-ethyl-4-methylbicyclo[2.2.2]octan-1-amine
SMILESCCNC12CCC(C)(CC1)CC2
InChIInChI=1S/C11H21N/c1-3-12-11-7-4-10(2,5-8-11)6-9-11/h12H,3-9H2,1-2H3
InChIKeyKBRZLZVJNLYAQZ-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine?
The IUPAC name of N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine (CID 118585798) is N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine?
The canonical SMILES for N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine is CCNC12CCC(C)(CC1)CC2.
What is the InChIKey of N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine?
The InChIKey is KBRZLZVJNLYAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-12-11-7-4-10(2,5-8-11)6-9-11/h12H,3-9H2,1-2H3.
What are the key properties of N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine?
N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 118585798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).