2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C13H25N — CID 58030228

IUPAC2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCC(C)C1CCC2NC(C)C(C)C2C1
InChIInChI=1S/C13H25N/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13/h8-14H,5-7H2,1-4H3
InChIKeyTUXOZHHNLNDXFE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.06
Rot. Bonds1

About 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 58030228) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID58030228
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCC(C)C1CCC2NC(C)C(C)C2C1
InChIInChI=1S/C13H25N/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13/h8-14H,5-7H2,1-4H3
InChIKeyTUXOZHHNLNDXFE-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole with MolForge

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Related Compounds

1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 153382401
5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 140573471
(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperidine
CID 158604768
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
propan-2-ylcyclopropane;hydroiodide
CID 162314014
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
2-methyl-7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide
CID 66243498
(2R,4R)-2-methyl-4-propan-2-ylpiperidine
CID 96733113
2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423201
6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 83905624
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
2-methyl-6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123673492

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 58030228) is 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is CC(C)C1CCC2NC(C)C(C)C2C1.
What is the InChIKey of 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is TUXOZHHNLNDXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13/h8-14H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 195.35 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 58030228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).