(2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole

C10H19N — CID 70343594

IUPAC(2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole
SMILESC[C@H]1C[C@@]2(C)CCCC[C@H]2N1
InChIInChI=1S/C10H19N/c1-8-7-10(2)6-4-3-5-9(10)11-8/h8-9,11H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyMGXRIHRKVANGBJ-IVZWLZJFSA-N
MW153.27 g/mol
LogP2.32
Rot. Bonds

About (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole

(2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole (PubChem CID 70343594) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name(2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole
PubChem CID70343594
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole
SMILESC[C@H]1C[C@@]2(C)CCCC[C@H]2N1
InChIInChI=1S/C10H19N/c1-8-7-10(2)6-4-3-5-9(10)11-8/h8-9,11H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyMGXRIHRKVANGBJ-IVZWLZJFSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole with MolForge

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Related Compounds

(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71362985
(3aS)-3a-methyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-2-carbaldehyde;methanol
CID 144539534
(2R,3aS,8aS)-2,3a-dimethyl-1,2,3,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-4-one;hydrochloride
CID 154828554
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 169205575
2-(1-methylcycloheptyl)aziridine
CID 157088948
(1-methylcyclopentyl)cyclohexane
CID 13217819
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
ethane;1-methyl-7-azabicyclo[4.1.0]heptane
CID 158205243
(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 176835290
1,1,2-trimethylcycloundecane
CID 544748
benzyl 3a-methyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 71029556
methanol;1,1,2-trimethylcyclohexane
CID 70292509

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole?
The IUPAC name of (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole (CID 70343594) is (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole?
The canonical SMILES for (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole is C[C@H]1C[C@@]2(C)CCCC[C@H]2N1.
What is the InChIKey of (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole?
The InChIKey is MGXRIHRKVANGBJ-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H19N/c1-8-7-10(2)6-4-3-5-9(10)11-8/h8-9,11H,3-7H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole?
(2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole has a molecular weight of 153.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 70343594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).