12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane

C13H23N — CID 176988045

IUPAC12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane
SMILESC1CC23CCC2C2CCC2(C1)N3.CC
InChIInChI=1S/C11H17N.C2H6/c1-4-10-6-2-8(10)9-3-7-11(9,5-1)12-10;1-2/h8-9,12H,1-7H2;1-2H3
InChIKeyFIEBWGOKKHPYKP-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.10
Rot. Bonds

About 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane

12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane (PubChem CID 176988045) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane.

Molecular Properties

Compound Name12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane
PubChem CID176988045
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane
SMILESC1CC23CCC2C2CCC2(C1)N3.CC
InChIInChI=1S/C11H17N.C2H6/c1-4-10-6-2-8(10)9-3-7-11(9,5-1)12-10;1-2/h8-9,12H,1-7H2;1-2H3
InChIKeyFIEBWGOKKHPYKP-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 169125216
1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane
CID 134467054
1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane
CID 134550877
7-azatricyclo[3.2.1.01,4]octane
CID 123313654
(3R)-4-methyl-1-azaspiro[2.6]nonane
CID 121388588
1,1-dimethylcyclobutane;vanadium
CID 158712416
CID 70372398
CID 70372398
(6R)-11-methyl-1-azaspiro[5.5]undecane
CID 121388678
1-methylsulfanylcyclobutane-1-carbonitrile
CID 65130992
(3R)-3-methyl-1-azaspiro[3.4]octane
CID 170058440
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
9-methyl-1,2-diazaspiro[4.4]nonane
CID 91450750

Frequently Asked Questions

What is the IUPAC name of 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane?
The IUPAC name of 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane (CID 176988045) is 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane.
What is the SMILES notation for 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane?
The canonical SMILES for 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane is C1CC23CCC2C2CCC2(C1)N3.CC.
What is the InChIKey of 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane?
The InChIKey is FIEBWGOKKHPYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-4-10-6-2-8(10)9-3-7-11(9,5-1)12-10;1-2/h8-9,12H,1-7H2;1-2H3.
What are the key properties of 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane?
12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane has a molecular weight of 193.33 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane is sourced from PubChem (CID 176988045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).