5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one

C16H24N2O — CID 82173152

IUPAC5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one
SMILESCc1c(C(N)C(C)C)cc2c(c1C)NC(=O)C2(C)C
InChIInChI=1S/C16H24N2O/c1-8(2)13(17)11-7-12-14(10(4)9(11)3)18-15(19)16(12,5)6/h7-8,13H,17H2,1-6H3,(H,18,19)
InChIKeyQWTHYYPFEACMJC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.19
Rot. Bonds2

About 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one

5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one (PubChem CID 82173152) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one
PubChem CID82173152
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one
SMILESCc1c(C(N)C(C)C)cc2c(c1C)NC(=O)C2(C)C
InChIInChI=1S/C16H24N2O/c1-8(2)13(17)11-7-12-14(10(4)9(11)3)18-15(19)16(12,5)6/h7-8,13H,17H2,1-6H3,(H,18,19)
InChIKeyQWTHYYPFEACMJC-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one?
The IUPAC name of 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one (CID 82173152) is 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one is Cc1c(C(N)C(C)C)cc2c(c1C)NC(=O)C2(C)C.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one?
The InChIKey is QWTHYYPFEACMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-8(2)13(17)11-7-12-14(10(4)9(11)3)18-15(19)16(12,5)6/h7-8,13H,17H2,1-6H3,(H,18,19).
What are the key properties of 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one?
5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one is sourced from PubChem (CID 82173152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).