ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C10H21N — CID 91339086

IUPACethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC.CN1CC2CCCC2C1
InChIInChI=1S/C8H15N.C2H6/c1-9-5-7-3-2-4-8(7)6-9;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyMUKRLLPIKIHJGB-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds

About ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 91339086) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Nameethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID91339086
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC.CN1CC2CCCC2C1
InChIInChI=1S/C8H15N.C2H6/c1-9-5-7-3-2-4-8(7)6-9;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyMUKRLLPIKIHJGB-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 143016565
(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 98086940
ethane;10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098920
(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
CID 118321451
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
ethane;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 144987626
3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane
CID 91585358
10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098921
ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 177136991
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 91339086) is ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC.CN1CC2CCCC2C1.
What is the InChIKey of ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is MUKRLLPIKIHJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-9-5-7-3-2-4-8(7)6-9;1-2/h7-8H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 155.28 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 91339086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).