1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole

C11H21N — CID 58339116

IUPAC1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC(C)N1CCC2CCCCC21
InChIInChI=1S/C11H21N/c1-9(2)12-8-7-10-5-3-4-6-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyHKGALAZTYUGJBP-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds1

About 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole

1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 58339116) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID58339116
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC(C)N1CCC2CCCCC21
InChIInChI=1S/C11H21N/c1-9(2)12-8-7-10-5-3-4-6-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyHKGALAZTYUGJBP-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR,7aR)-1-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130978480
8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611
4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]aniline
CID 82747100
4-(1-propan-2-ylpyrrolidin-2-yl)piperidine
CID 66273659
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide
CID 82750365
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
CID 82751497
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
CID 82747112
2-cyclohexyl-1-propan-2-ylpiperazine
CID 64844464
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propyl]pentan-3-amine
CID 82753424
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102726031
ethyl 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 82749943
2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol
CID 82983162

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole (CID 58339116) is 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole is CC(C)N1CCC2CCCCC21.
What is the InChIKey of 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is HKGALAZTYUGJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)12-8-7-10-5-3-4-6-11(10)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole?
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 167.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 58339116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).