5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one

C16H24N2O — CID 82172290

IUPAC5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one
SMILESCCCC(N)c1ccc2c(c1)C(CC)C(=O)N2CC
InChIInChI=1S/C16H24N2O/c1-4-7-14(17)11-8-9-15-13(10-11)12(5-2)16(19)18(15)6-3/h8-10,12,14H,4-7,17H2,1-3H3
InChIKeySNTXYLAAHNHSBN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.35
Rot. Bonds5

About 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one

5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one (PubChem CID 82172290) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one
PubChem CID82172290
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one
SMILESCCCC(N)c1ccc2c(c1)C(CC)C(=O)N2CC
InChIInChI=1S/C16H24N2O/c1-4-7-14(17)11-8-9-15-13(10-11)12(5-2)16(19)18(15)6-3/h8-10,12,14H,4-7,17H2,1-3H3
InChIKeySNTXYLAAHNHSBN-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one
CID 82172288
5-(1-amino-2-methylbutyl)-1,3-diethyl-3H-indol-2-one
CID 82172293
1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172314
5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one
CID 82172252
5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one
CID 82172165
5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one
CID 82174370
2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82028591
5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912718
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
6-(1-amino-3-methylbutyl)-4-ethyl-2-methyl-1,4-benzoxazin-3-one
CID 82028534

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one?
The IUPAC name of 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one (CID 82172290) is 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one?
The canonical SMILES for 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one is CCCC(N)c1ccc2c(c1)C(CC)C(=O)N2CC.
What is the InChIKey of 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one?
The InChIKey is SNTXYLAAHNHSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-7-14(17)11-8-9-15-13(10-11)12(5-2)16(19)18(15)6-3/h8-10,12,14H,4-7,17H2,1-3H3.
What are the key properties of 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one?
5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one is sourced from PubChem (CID 82172290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).