5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one

C14H20N2O — CID 82172765

IUPAC5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(C(N)C(C)C)cc2c1NC(=O)C2C
InChIInChI=1S/C14H20N2O/c1-7(2)12(15)10-5-8(3)13-11(6-10)9(4)14(17)16-13/h5-7,9,12H,15H2,1-4H3,(H,16,17)
InChIKeyLOWLEAMANSHHIT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.71
Rot. Bonds2

About 5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one

5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82172765) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID82172765
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(C(N)C(C)C)cc2c1NC(=O)C2C
InChIInChI=1S/C14H20N2O/c1-7(2)12(15)10-5-8(3)13-11(6-10)9(4)14(17)16-13/h5-7,9,12H,15H2,1-4H3,(H,16,17)
InChIKeyLOWLEAMANSHHIT-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.71
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)-3,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one (CID 82172765) is 5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one is Cc1cc(C(N)C(C)C)cc2c1NC(=O)C2C.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is LOWLEAMANSHHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-7(2)12(15)10-5-8(3)13-11(6-10)9(4)14(17)16-13/h5-7,9,12H,15H2,1-4H3,(H,16,17).
What are the key properties of 5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one?
5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.71, 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)-3,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).