[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol

C14H26N2O — CID 82751207

IUPAC[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol
SMILESNC1(CO)CCC(N2CCC3CCCCC32)C1
InChIInChI=1S/C14H26N2O/c15-14(10-17)7-5-12(9-14)16-8-6-11-3-1-2-4-13(11)16/h11-13,17H,1-10,15H2
InChIKeyIGGBCVDKNQHTLW-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.49
Rot. Bonds2

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

[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol (PubChem CID 82751207) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol.

Molecular Properties

Compound Name[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol
PubChem CID82751207
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol
SMILESNC1(CO)CCC(N2CCC3CCCCC32)C1
InChIInChI=1S/C14H26N2O/c15-14(10-17)7-5-12(9-14)16-8-6-11-3-1-2-4-13(11)16/h11-13,17H,1-10,15H2
InChIKeyIGGBCVDKNQHTLW-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol
CID 79640087
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol
CID 79640625
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 82751462
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 82753519
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656071
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640172
[1-amino-3-(4-ethylpiperazin-1-yl)cyclopentyl]methanol
CID 79656436
[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol
CID 114196891
[1-amino-3-(4-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79655902
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79646112
1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750917
[1-amino-3-(5-ethyl-2-methylpiperidin-1-yl)cyclopentyl]methanol
CID 112734609

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol?
The IUPAC name of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol (CID 82751207) is [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol.
What is the SMILES notation for [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol?
The canonical SMILES for [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol is NC1(CO)CCC(N2CCC3CCCCC32)C1.
What is the InChIKey of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol?
The InChIKey is IGGBCVDKNQHTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-14(10-17)7-5-12(9-14)16-8-6-11-3-1-2-4-13(11)16/h11-13,17H,1-10,15H2.
What are the key properties of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol?
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol has a molecular weight of 238.37 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol is sourced from PubChem (CID 82751207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).