1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one

C18H28N2O — CID 82259881

IUPAC1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
SMILESCCCC(N)Cc1ccc2c(c1)CCN2C(=O)CC(C)C
InChIInChI=1S/C18H28N2O/c1-4-5-16(19)12-14-6-7-17-15(11-14)8-9-20(17)18(21)10-13(2)3/h6-7,11,13,16H,4-5,8-10,12,19H2,1-3H3
InChIKeyPDFOQUHQVCEOSV-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.29
Rot. Bonds6

About 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one

1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one (PubChem CID 82259881) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
PubChem CID82259881
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
SMILESCCCC(N)Cc1ccc2c(c1)CCN2C(=O)CC(C)C
InChIInChI=1S/C18H28N2O/c1-4-5-16(19)12-14-6-7-17-15(11-14)8-9-20(17)18(21)10-13(2)3/h6-7,11,13,16H,4-5,8-10,12,19H2,1-3H3
InChIKeyPDFOQUHQVCEOSV-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259825
1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259757
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
CID 53092613
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
CID 82259940
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
1-[5-(4-amino-1-hydroxybutyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340987
1-[5-(2-bromoacetyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82258608
1-[5-(2-bromobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259297
1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340988
2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093940

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one (CID 82259881) is 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one is CCCC(N)Cc1ccc2c(c1)CCN2C(=O)CC(C)C.
What is the InChIKey of 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
The InChIKey is PDFOQUHQVCEOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-16(19)12-14-6-7-17-15(11-14)8-9-20(17)18(21)10-13(2)3/h6-7,11,13,16H,4-5,8-10,12,19H2,1-3H3.
What are the key properties of 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 82259881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).