2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane

C37H69N5 — CID 159404960

IUPAC2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/2C8H15N.3C7H13N/c1-9-5-7-3-2-4-8(7)6-9;1-9-7-3-2-4-8(9)6-5-7;2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h2*7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3/t;;6-,7+;;/m..1../s1
InChIKeyLNVHKCVTMIVFJN-GSKOJKMHSA-N
MW583.99 g/mol
LogP6.43
Rot. Bonds

About 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane

2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 159404960) has the molecular formula C37H69N5 and a molecular weight of 583.99 g/mol. Its IUPAC name is 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID159404960
Molecular FormulaC37H69N5
Molecular Weight583.99 g/mol
Exact Mass583.56
IUPAC Name2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/2C8H15N.3C7H13N/c1-9-5-7-3-2-4-8(7)6-9;1-9-7-3-2-4-8(9)6-5-7;2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h2*7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3/t;;6-,7+;;/m..1../s1
InChIKeyLNVHKCVTMIVFJN-GSKOJKMHSA-N
XLogP6.43
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.99
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 157210119
(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 158823109
(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 168395222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane (CID 159404960) is 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is LNVHKCVTMIVFJN-GSKOJKMHSA-N. The full InChI is InChI=1S/2C8H15N.3C7H13N/c1-9-5-7-3-2-4-8(7)6-9;1-9-7-3-2-4-8(9)6-5-7;2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h2*7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3/t;;6-,7+;;/m..1../s1.
What are the key properties of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane?
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 583.99 g/mol, XLogP of 6.43, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 159404960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).