2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone

C14H24N2O — CID 81488864

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone
SMILESNC1CCC(C(=O)N2CCC3CCCCC32)C1
InChIInChI=1S/C14H24N2O/c15-12-6-5-11(9-12)14(17)16-8-7-10-3-1-2-4-13(10)16/h10-13H,1-9,15H2
InChIKeyLFANPFXGWNFEHQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.90
Rot. Bonds1

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone (PubChem CID 81488864) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone
PubChem CID81488864
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone
SMILESNC1CCC(C(=O)N2CCC3CCCCC32)C1
InChIInChI=1S/C14H24N2O/c15-12-6-5-11(9-12)14(17)16-8-7-10-3-1-2-4-13(10)16/h10-13H,1-9,15H2
InChIKeyLFANPFXGWNFEHQ-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3R)-3-aminocyclopentyl]-[(2R)-2-cyclopentylpyrrolidin-1-yl]methanone
CID 124678579
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminocyclopentyl)methanone
CID 102726153
(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62777355
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119686901
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
(3-aminocyclohexyl)-(2-cyclobutylpyrrolidin-1-yl)methanone
CID 119765726
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-4-methylcyclohexyl)methanone
CID 62781711
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 60611198
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone
CID 124861773
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone (CID 81488864) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone is NC1CCC(C(=O)N2CCC3CCCCC32)C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone?
The InChIKey is LFANPFXGWNFEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-12-6-5-11(9-12)14(17)16-8-7-10-3-1-2-4-13(10)16/h10-13H,1-9,15H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone has a molecular weight of 236.36 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone is sourced from PubChem (CID 81488864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).