2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one

C14H26N2O — CID 119324400

IUPAC2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1C(C)CC2CCCCC21
InChIInChI=1S/C14H26N2O/c1-3-6-12(15)14(17)16-10(2)9-11-7-4-5-8-13(11)16/h10-13H,3-9,15H2,1-2H3
InChIKeyXLUUMMWULIQRER-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one

2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one (PubChem CID 119324400) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one
PubChem CID119324400
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1C(C)CC2CCCCC21
InChIInChI=1S/C14H26N2O/c1-3-6-12(15)14(17)16-10(2)9-11-7-4-5-8-13(11)16/h10-13H,3-9,15H2,1-2H3
InChIKeyXLUUMMWULIQRER-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
CID 103796395
1-[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpropan-1-one
CID 58649190
ethyl (2S)-2-[[(2R)-1-[(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]amino]pentanoate
CID 58997735
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminopentan-1-one
CID 102726243
methyl (3S)-4-[(2R,3aR,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-4-oxobutanoate
CID 97023124
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride
CID 119326391
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopentan-1-one
CID 43650387
2-amino-1-(2,5-dimethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119328145
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone
CID 124861773

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one (CID 119324400) is 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one is CCCC(N)C(=O)N1C(C)CC2CCCCC21.
What is the InChIKey of 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one?
The InChIKey is XLUUMMWULIQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-6-12(15)14(17)16-10(2)9-11-7-4-5-8-13(11)16/h10-13H,3-9,15H2,1-2H3.
What are the key properties of 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one?
2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one is sourced from PubChem (CID 119324400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).