(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine

C11H19N — CID 129452746

IUPAC(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
SMILESC[C@@H]1CC[C@@H]2C[C@H]3CCC[C@@H]3N21
InChIInChI=1S/C11H19N/c1-8-5-6-10-7-9-3-2-4-11(9)12(8)10/h8-11H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1
InChIKeyADSVKMQWZMHCPN-DBIOUOCHSA-N
MW165.28 g/mol
LogP2.41
Rot. Bonds

About (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine

(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine (PubChem CID 129452746) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine.

Molecular Properties

Compound Name(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
PubChem CID129452746
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
SMILESC[C@@H]1CC[C@@H]2C[C@H]3CCC[C@@H]3N21
InChIInChI=1S/C11H19N/c1-8-5-6-10-7-9-3-2-4-11(9)12(8)10/h8-11H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1
InChIKeyADSVKMQWZMHCPN-DBIOUOCHSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine
CID 171651783
6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one
CID 167103883
N-methyl-8-(2-methylcyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63281613
(3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
CID 99943828
9-(3-cyclohexylcyclohexyl)-3-[9-(3-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(4-cyclohexylcyclohexyl)-3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 161252152
2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 140693285
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373
9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 155326548
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
CID 100964186
[(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine
CID 129109705
3-[3-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)cyclohexyl]-9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 159703470
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908

Frequently Asked Questions

What is the IUPAC name of (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine?
The IUPAC name of (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine (CID 129452746) is (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine.
What is the SMILES notation for (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine?
The canonical SMILES for (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine is C[C@@H]1CC[C@@H]2C[C@H]3CCC[C@@H]3N21.
What is the InChIKey of (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine?
The InChIKey is ADSVKMQWZMHCPN-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H19N/c1-8-5-6-10-7-9-3-2-4-11(9)12(8)10/h8-11H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine?
(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine has a molecular weight of 165.28 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine is sourced from PubChem (CID 129452746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).