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

C16H24N2O — CID 82255283

IUPAC1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(CC(N)CC(C)C)ccc21
InChIInChI=1S/C16H24N2O/c1-11(2)8-15(17)10-13-4-5-16-14(9-13)6-7-18(16)12(3)19/h4-5,9,11,15H,6-8,10,17H2,1-3H3
InChIKeyDCNLWPUIYBNMQI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.51
Rot. Bonds4

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

1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 82255283) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID82255283
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(CC(N)CC(C)C)ccc21
InChIInChI=1S/C16H24N2O/c1-11(2)8-15(17)10-13-4-5-16-14(9-13)6-7-18(16)12(3)19/h4-5,9,11,15H,6-8,10,17H2,1-3H3
InChIKeyDCNLWPUIYBNMQI-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.51
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]-3-cyclohexylpropan-1-one
CID 82259940
1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259757
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
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid
CID 82350735
1-[5-[2-(cyclopentylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
CID 82262657
1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
CID 82262438
1-[6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262503
1-[6-(2-bromo-3-methylbutyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82255035
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-chlorobutanoate
CID 82352066
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 119260893

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone (CID 82255283) is 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(CC(N)CC(C)C)ccc21.
What is the InChIKey of 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is DCNLWPUIYBNMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)8-15(17)10-13-4-5-16-14(9-13)6-7-18(16)12(3)19/h4-5,9,11,15H,6-8,10,17H2,1-3H3.
What are the key properties of 1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.51, 4 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]ethanone is sourced from PubChem (CID 82255283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).