(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane

C12H27N — CID 144941558

IUPAC(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane
SMILESC1C[C@@H]2CNC[C@@H]2C1.CC.CCC
InChIInChI=1S/C7H13N.C3H8.C2H6/c1-2-6-4-8-5-7(6)3-1;1-3-2;1-2/h6-8H,1-5H2;3H2,1-2H3;1-2H3/t6-,7+;;
InChIKeyYQCPEQWVFBKEQC-DTQHMAPFSA-N
MW185.36 g/mol
LogP3.45
Rot. Bonds

About (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane

(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane (PubChem CID 144941558) has the molecular formula C12H27N and a molecular weight of 185.36 g/mol. Its IUPAC name is (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane.

Molecular Properties

Compound Name(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane
PubChem CID144941558
Molecular FormulaC12H27N
Molecular Weight185.36 g/mol
Exact Mass185.21
IUPAC Name(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane
SMILESC1C[C@@H]2CNC[C@@H]2C1.CC.CCC
InChIInChI=1S/C7H13N.C3H8.C2H6/c1-2-6-4-8-5-7(6)3-1;1-3-2;1-2/h6-8H,1-5H2;3H2,1-2H3;1-2H3/t6-,7+;;
InChIKeyYQCPEQWVFBKEQC-DTQHMAPFSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane with MolForge

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol
CID 168986693
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 67080793
CID 172701380
CID 172701380
(12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocycloundeca[c]pyrrole
CID 122625912
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;azepane;ethane;propane
CID 143167728
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
ethane;4-ethyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 156888577
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052
ethane;8-methyl-3-azabicyclo[3.2.1]octane
CID 155722306
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane?
The IUPAC name of (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane (CID 144941558) is (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane.
What is the SMILES notation for (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane?
The canonical SMILES for (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane is C1C[C@@H]2CNC[C@@H]2C1.CC.CCC.
What is the InChIKey of (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane?
The InChIKey is YQCPEQWVFBKEQC-DTQHMAPFSA-N. The full InChI is InChI=1S/C7H13N.C3H8.C2H6/c1-2-6-4-8-5-7(6)3-1;1-3-2;1-2/h6-8H,1-5H2;3H2,1-2H3;1-2H3/t6-,7+;;.
What are the key properties of (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane?
(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane has a molecular weight of 185.36 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane is sourced from PubChem (CID 144941558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).