5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one

C17H24N2O — CID 43119558

IUPAC5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)CC3CCCCC3)ccc21
InChIInChI=1S/C17H24N2O/c1-19-16-8-7-13(10-14(16)11-17(19)20)15(18)9-12-5-3-2-4-6-12/h7-8,10,12,15H,2-6,9,11,18H2,1H3
InChIKeyLBUGMVZGRXVULX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.18
Rot. Bonds3

About 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one

5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one (PubChem CID 43119558) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
PubChem CID43119558
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)CC3CCCCC3)ccc21
InChIInChI=1S/C17H24N2O/c1-19-16-8-7-13(10-14(16)11-17(19)20)15(18)9-12-5-3-2-4-6-12/h7-8,10,12,15H,2-6,9,11,18H2,1H3
InChIKeyLBUGMVZGRXVULX-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one
CID 61098748
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
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5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
CID 82301189
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299908
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 116935674

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one (CID 43119558) is 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(N)CC3CCCCC3)ccc21.
What is the InChIKey of 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one?
The InChIKey is LBUGMVZGRXVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-16-8-7-13(10-14(16)11-17(19)20)15(18)9-12-5-3-2-4-6-12/h7-8,10,12,15H,2-6,9,11,18H2,1H3.
What are the key properties of 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one?
5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43119558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).