1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane

C14H25N — CID 134550923

IUPAC1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane
SMILESCCC12CCCC3(C)CCC(C)(CC1)N32
InChIInChI=1S/C14H25N/c1-4-14-7-5-6-12(2)8-9-13(3,10-11-14)15(12)14/h4-11H2,1-3H3
InChIKeyNLLXYBYAUMITQU-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.73
Rot. Bonds1

About 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane

1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane (PubChem CID 134550923) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane.

Molecular Properties

Compound Name1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane
PubChem CID134550923
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane
SMILESCCC12CCCC3(C)CCC(C)(CC1)N32
InChIInChI=1S/C14H25N/c1-4-14-7-5-6-12(2)8-9-13(3,10-11-14)15(12)14/h4-11H2,1-3H3
InChIKeyNLLXYBYAUMITQU-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane
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1-(1-ethylcyclohexyl)pyrazole
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8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine
CID 122662743
4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole
CID 130482405
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
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propane;spiro[3.3]heptane
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benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011
1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane
CID 134467176

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane?
The IUPAC name of 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane (CID 134550923) is 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane.
What is the SMILES notation for 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane?
The canonical SMILES for 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane is CCC12CCCC3(C)CCC(C)(CC1)N32.
What is the InChIKey of 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane?
The InChIKey is NLLXYBYAUMITQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-14-7-5-6-12(2)8-9-13(3,10-11-14)15(12)14/h4-11H2,1-3H3.
What are the key properties of 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane?
1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane has a molecular weight of 207.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,7-dimethyl-11-azatricyclo[5.3.1.04,11]undecane is sourced from PubChem (CID 134550923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).