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

C15H27ClN2O — CID 119039188

IUPAC(3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride
SMILESCC1CC2CCCCC2N1C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-10-8-11-4-2-3-5-14(11)17(10)15(18)12-6-7-13(16)9-12;/h10-14H,2-9,16H2,1H3;1H
InChIKeyWENYWQZAATURCL-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.72
Rot. Bonds1

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

(3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride (PubChem CID 119039188) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride
PubChem CID119039188
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC Name(3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride
SMILESCC1CC2CCCCC2N1C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-10-8-11-4-2-3-5-14(11)17(10)15(18)12-6-7-13(16)9-12;/h10-14H,2-9,16H2,1H3;1H
InChIKeyWENYWQZAATURCL-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride (CID 119039188) is (3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride is CC1CC2CCCCC2N1C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of (3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride?
The InChIKey is WENYWQZAATURCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.ClH/c1-10-8-11-4-2-3-5-14(11)17(10)15(18)12-6-7-13(16)9-12;/h10-14H,2-9,16H2,1H3;1H.
What are the key properties of (3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride?
(3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119039188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).