3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane

C126H263N11 — CID 158909938

IUPAC3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C2CC1CN(C)C2.CC1C2CCC1CN(C)C2.CC1CC2CC(C1)CN(C)C2.CC1CC2CC(C1)N(C)C2.CC1CC2CC1CN(C)C2.CC1CC2CC1CN2C.CC1CC2CCC(C1)CN(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C.CC1CC2CCCC(C1)CN(C)C2.CC1CC2CCCC(C1)N2C
InChIInChI=1S/C12H23N.C11H21N.2C10H19N.5C9H17N.2C8H15N.11C2H6/c1-10-6-11-4-3-5-12(7-10)9-13(2)8-11;1-9-5-10-3-4-11(6-9)8-12(2)7-10;1-8-3-9-5-10(4-8)7-11(2)6-9;1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-4-9(7)6-10(2)5-8;1-7-3-8-5-9(4-7)10(2)6-8;1-7-8-3-4-9(7)6-10(2)5-8;1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2;1-6-7-3-8(6)5-9(2)4-7;1-6-3-8-4-7(6)5-9(8)2;11*1-2/h10-12H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;5*7-9H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;11*1-2H3
InChIKeyJGNCKMAEQITLCU-UHFFFAOYSA-N
MW1932.57 g/mol
LogP31.77
Rot. Bonds

About 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane

3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane (PubChem CID 158909938) has the molecular formula C126H263N11 and a molecular weight of 1932.57 g/mol. Its IUPAC name is 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane.

Molecular Properties

Compound Name3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane
PubChem CID158909938
Molecular FormulaC126H263N11
Molecular Weight1932.57 g/mol
Exact Mass1931.09
IUPAC Name3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C2CC1CN(C)C2.CC1C2CCC1CN(C)C2.CC1CC2CC(C1)CN(C)C2.CC1CC2CC(C1)N(C)C2.CC1CC2CC1CN(C)C2.CC1CC2CC1CN2C.CC1CC2CCC(C1)CN(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C.CC1CC2CCCC(C1)CN(C)C2.CC1CC2CCCC(C1)N2C
InChIInChI=1S/C12H23N.C11H21N.2C10H19N.5C9H17N.2C8H15N.11C2H6/c1-10-6-11-4-3-5-12(7-10)9-13(2)8-11;1-9-5-10-3-4-11(6-9)8-12(2)7-10;1-8-3-9-5-10(4-8)7-11(2)6-9;1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-4-9(7)6-10(2)5-8;1-7-3-8-5-9(4-7)10(2)6-8;1-7-8-3-4-9(7)6-10(2)5-8;1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2;1-6-7-3-8(6)5-9(2)4-7;1-6-3-8-4-7(6)5-9(8)2;11*1-2/h10-12H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;5*7-9H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;11*1-2H3
InChIKeyJGNCKMAEQITLCU-UHFFFAOYSA-N
XLogP31.77
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001932.57
LogP ≤ 531.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane with MolForge

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Related Compounds

3,6-Dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane
CID 157517376
2,5-Dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane
CID 158557255
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane
CID 160416891
Bis(3-tert-butyl-3-azabicyclo[3.3.2]decane);2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azatricyclo[6.3.0.01,3]undecane;8-tert-butylbicyclo[3.2.1]octane
CID 161402175
2-Tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;3-tert-butylbicyclo[3.3.2]decane;8-tert-butylbicyclo[3.2.1]octane
CID 161948911
3,6-Dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethylbicyclo[2.2.1]heptane;ethane
CID 162213222

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane?
The IUPAC name of 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane (CID 158909938) is 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane.
What is the SMILES notation for 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane?
The canonical SMILES for 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C2CC1CN(C)C2.CC1C2CCC1CN(C)C2.CC1CC2CC(C1)CN(C)C2.CC1CC2CC(C1)N(C)C2.CC1CC2CC1CN(C)C2.CC1CC2CC1CN2C.CC1CC2CCC(C1)CN(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C.CC1CC2CCCC(C1)CN(C)C2.CC1CC2CCCC(C1)N2C.
What is the InChIKey of 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane?
The InChIKey is JGNCKMAEQITLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C11H21N.2C10H19N.5C9H17N.2C8H15N.11C2H6/c1-10-6-11-4-3-5-12(7-10)9-13(2)8-11;1-9-5-10-3-4-11(6-9)8-12(2)7-10;1-8-3-9-5-10(4-8)7-11(2)6-9;1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-4-9(7)6-10(2)5-8;1-7-3-8-5-9(4-7)10(2)6-8;1-7-8-3-4-9(7)6-10(2)5-8;1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2;1-6-7-3-8(6)5-9(2)4-7;1-6-3-8-4-7(6)5-9(8)2;11*1-2/h10-12H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;5*7-9H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;11*1-2H3.
What are the key properties of 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane?
3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane has a molecular weight of 1932.57 g/mol, XLogP of 31.77, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3-azabicyclo[3.3.2]decane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,7-dimethyl-3-azabicyclo[3.3.1]nonane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;3,7-dimethyl-3-azabicyclo[3.3.3]undecane;ethane is sourced from PubChem (CID 158909938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).