methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane

C73H151N11 — CID 160826195

IUPACmethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESC.C.C.C.C.C.CN1C2CCC1CC2.CN1C2CCC1CNC2.CN1C2CCCC1CC2.CN1C2CCCC1CCC2.CN1CC2CCC(C1)N2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2CC[C@H]1C2.CN1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H17N.2C8H15N.2C7H14N2.4C7H13N.6CH4/c1-10-8-4-2-5-9(10)7-3-6-8;1-9-5-7-3-2-4-8(7)6-9;1-9-7-3-2-4-8(9)6-5-7;1-9-4-6-2-3-7(5-9)8-6;1-9-6-2-3-7(9)5-8-4-6;3*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6;;;;;;/h8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3;2*6-8H,2-5H2,1H3;4*6-7H,2-5H2,1H3;6*1H4/t;;;;;2*6-,7+;;;;;;;;/m.....10......../s1
InChIKeySGEVXSCXMHOOIP-RYWBYXLSSA-N
MW1183.09 g/mol
LogP13.47
Rot. Bonds

About methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane

methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 160826195) has the molecular formula C73H151N11 and a molecular weight of 1183.09 g/mol. Its IUPAC name is methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Namemethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID160826195
Molecular FormulaC73H151N11
Molecular Weight1183.09 g/mol
Exact Mass1182.22
IUPAC Namemethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESC.C.C.C.C.C.CN1C2CCC1CC2.CN1C2CCC1CNC2.CN1C2CCCC1CC2.CN1C2CCCC1CCC2.CN1CC2CCC(C1)N2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2CC[C@H]1C2.CN1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H17N.2C8H15N.2C7H14N2.4C7H13N.6CH4/c1-10-8-4-2-5-9(10)7-3-6-8;1-9-5-7-3-2-4-8(7)6-9;1-9-7-3-2-4-8(9)6-5-7;1-9-4-6-2-3-7(5-9)8-6;1-9-6-2-3-7(9)5-8-4-6;3*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6;;;;;;/h8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3;2*6-8H,2-5H2,1H3;4*6-7H,2-5H2,1H3;6*1H4/t;;;;;2*6-,7+;;;;;;;;/m.....10......../s1
InChIKeySGEVXSCXMHOOIP-RYWBYXLSSA-N
XLogP13.47
TPSA53.22 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms84
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001183.09
LogP ≤ 513.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 160826195) is methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane is C.C.C.C.C.C.CN1C2CCC1CC2.CN1C2CCC1CNC2.CN1C2CCCC1CC2.CN1C2CCCC1CCC2.CN1CC2CCC(C1)N2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2CC[C@H]1C2.CN1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is SGEVXSCXMHOOIP-RYWBYXLSSA-N. The full InChI is InChI=1S/C9H17N.2C8H15N.2C7H14N2.4C7H13N.6CH4/c1-10-8-4-2-5-9(10)7-3-6-8;1-9-5-7-3-2-4-8(7)6-9;1-9-7-3-2-4-8(9)6-5-7;1-9-4-6-2-3-7(5-9)8-6;1-9-6-2-3-7(9)5-8-4-6;3*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6;;;;;;/h8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3;2*6-8H,2-5H2,1H3;4*6-7H,2-5H2,1H3;6*1H4/t;;;;;2*6-,7+;;;;;;;;/m.....10......../s1.
What are the key properties of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane?
methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 1183.09 g/mol, XLogP of 13.47, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(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;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 160826195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).