1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one

C23H36N2O — CID 82259940

IUPAC1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
SMILESCC(C)CC(N)Cc1ccc2c(c1)CCN2C(=O)CCC1CCCCC1
InChIInChI=1S/C23H36N2O/c1-17(2)14-21(24)16-19-8-10-22-20(15-19)12-13-25(22)23(26)11-9-18-6-4-3-5-7-18/h8,10,15,17-18,21H,3-7,9,11-14,16,24H2,1-2H3
InChIKeyYMLDWQBREOUUEC-UHFFFAOYSA-N
MW356.55 g/mol
LogP4.85
Rot. Bonds7

About 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one

1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one (PubChem CID 82259940) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
PubChem CID82259940
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
SMILESCC(C)CC(N)Cc1ccc2c(c1)CCN2C(=O)CCC1CCCCC1
InChIInChI=1S/C23H36N2O/c1-17(2)14-21(24)16-19-8-10-22-20(15-19)12-13-25(22)23(26)11-9-18-6-4-3-5-7-18/h8,10,15,17-18,21H,3-7,9,11-14,16,24H2,1-2H3
InChIKeyYMLDWQBREOUUEC-UHFFFAOYSA-N
XLogP4.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
1-[6-(2-bromo-2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]-3-cyclohexylpropan-1-one
CID 82259604
1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259881
1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259825
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259757
1-[6-(2-bromo-4-methylpentyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82259523
[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259947
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904
[5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone
CID 82259504
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 18270362
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one?
The IUPAC name of 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one (CID 82259940) is 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one.
What is the SMILES notation for 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one?
The canonical SMILES for 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one is CC(C)CC(N)Cc1ccc2c(c1)CCN2C(=O)CCC1CCCCC1.
What is the InChIKey of 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one?
The InChIKey is YMLDWQBREOUUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O/c1-17(2)14-21(24)16-19-8-10-22-20(15-19)12-13-25(22)23(26)11-9-18-6-4-3-5-7-18/h8,10,15,17-18,21H,3-7,9,11-14,16,24H2,1-2H3.
What are the key properties of 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one?
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one has a molecular weight of 356.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one is sourced from PubChem (CID 82259940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).