2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone

C18H24N2O — CID 2013269

IUPAC2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)CN(C)C3CCCCC3)c2c1
InChIInChI=1S/C18H24N2O/c1-13-8-9-17-15(10-13)16(11-19-17)18(21)12-20(2)14-6-4-3-5-7-14/h8-11,14,19H,3-7,12H2,1-2H3
InChIKeyYUQGKLRRJCBIRJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.92
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone

2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone (PubChem CID 2013269) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone
PubChem CID2013269
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)CN(C)C3CCCCC3)c2c1
InChIInChI=1S/C18H24N2O/c1-13-8-9-17-15(10-13)16(11-19-17)18(21)12-20(2)14-6-4-3-5-7-14/h8-11,14,19H,3-7,12H2,1-2H3
InChIKeyYUQGKLRRJCBIRJ-UHFFFAOYSA-N
XLogP3.92
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63553709
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
4-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 63554781
1-(5-methyl-1H-indol-3-yl)-3-piperidin-1-ium-4-ylpropan-1-one chloride
CID 159675036
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 7735516
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 904242
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797441
2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one
CID 55220154

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone (CID 2013269) is 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone is Cc1ccc2[nH]cc(C(=O)CN(C)C3CCCCC3)c2c1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone?
The InChIKey is YUQGKLRRJCBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-8-9-17-15(10-13)16(11-19-17)18(21)12-20(2)14-6-4-3-5-7-14/h8-11,14,19H,3-7,12H2,1-2H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone?
2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 2013269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).