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

C11H21N — CID 83905624

IUPAC6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCC(C)C1CCC2CCNC2C1
InChIInChI=1S/C11H21N/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h8-12H,3-7H2,1-2H3
InChIKeyXFUZMPHNNRKAOR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds1

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

6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 83905624) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID83905624
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCC(C)C1CCC2CCNC2C1
InChIInChI=1S/C11H21N/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h8-12H,3-7H2,1-2H3
InChIKeyXFUZMPHNNRKAOR-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 166956408
6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 168995872
(2R,4R)-2-iodo-4-propan-2-ylpiperidine
CID 167503310
(2R,4R)-2-methyl-4-propan-2-ylpiperidine
CID 96733113
6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;6-tert-butyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;5-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;2-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 158694990
(2R,4R)-4-propan-2-ylpiperidin-2-ol
CID 125130328
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
(2S,4R)-2-cyclopropylpiperidin-4-ol
CID 82651262
2-methyl-6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123673492
2-cyclopropylpiperidin-4-ol;hydrochloride
CID 115015029
propan-2-ylcyclopropane;hydroiodide
CID 162314014
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylpropan-1-one
CID 83154259

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of 6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 83905624) is 6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for 6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for 6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is CC(C)C1CCC2CCNC2C1.
What is the InChIKey of 6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is XFUZMPHNNRKAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 167.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 83905624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).