2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane

C54H102N6 — CID 158885545

IUPAC2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane
SMILESCC1CC2CC(C1)N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCCC(C1)N2C.CC1CC2CN(C)CC2C1.CC1CCC2(C1)CN(C)C2.CN1CCC2(CCC2)C1
InChIInChI=1S/C10H19N.4C9H17N.C8H15N/c1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-5-10(2)6-9(8)4-7;1-7-3-8-5-9(4-7)10(2)6-8;1-8-3-4-9(5-8)6-10(2)7-9;1-7-5-8-3-4-9(6-7)10(8)2;1-9-6-5-8(7-9)3-2-4-8/h8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2-7H2,1H3
InChIKeyJDOUMVPWADPQDT-UHFFFAOYSA-N
MW835.45 g/mol
LogP10.71
Rot. Bonds

About 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane

2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane (PubChem CID 158885545) has the molecular formula C54H102N6 and a molecular weight of 835.45 g/mol. Its IUPAC name is 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane
PubChem CID158885545
Molecular FormulaC54H102N6
Molecular Weight835.45 g/mol
Exact Mass834.82
IUPAC Name2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane
SMILESCC1CC2CC(C1)N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCCC(C1)N2C.CC1CC2CN(C)CC2C1.CC1CCC2(C1)CN(C)C2.CN1CCC2(CCC2)C1
InChIInChI=1S/C10H19N.4C9H17N.C8H15N/c1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-5-10(2)6-9(8)4-7;1-7-3-8-5-9(4-7)10(2)6-8;1-8-3-4-9(5-8)6-10(2)7-9;1-7-5-8-3-4-9(6-7)10(8)2;1-9-6-5-8(7-9)3-2-4-8/h8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2-7H2,1H3
InChIKeyJDOUMVPWADPQDT-UHFFFAOYSA-N
XLogP10.71
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.45
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane?
The IUPAC name of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane (CID 158885545) is 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane?
The canonical SMILES for 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane is CC1CC2CC(C1)N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCCC(C1)N2C.CC1CC2CN(C)CC2C1.CC1CCC2(C1)CN(C)C2.CN1CCC2(CCC2)C1.
What is the InChIKey of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane?
The InChIKey is JDOUMVPWADPQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.4C9H17N.C8H15N/c1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-5-10(2)6-9(8)4-7;1-7-3-8-5-9(4-7)10(2)6-8;1-8-3-4-9(5-8)6-10(2)7-9;1-7-5-8-3-4-9(6-7)10(8)2;1-9-6-5-8(7-9)3-2-4-8/h8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2-7H2,1H3.
What are the key properties of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane?
2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane has a molecular weight of 835.45 g/mol, XLogP of 10.71, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.4]octane;6-methyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 158885545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).