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

C13H18N2O — CID 82190537

IUPAC7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(CCCN)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-8-6-10(4-3-5-14)12-11(7-8)9(2)13(16)15-12/h6-7,9H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyMROQPQJFMXOTNS-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.94
Rot. Bonds3

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

7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82190537) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one
PubChem CID82190537
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(CCCN)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-8-6-10(4-3-5-14)12-11(7-8)9(2)13(16)15-12/h6-7,9H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyMROQPQJFMXOTNS-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-aminobutyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82190636
7-(2-aminoethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190654
5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190576
7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one
CID 82190547
7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190653
7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172446
7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one
CID 82190562
7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172449
5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one
CID 82190449
5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one
CID 82172936
7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172454
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one (CID 82190537) is 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one is Cc1cc(CCCN)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is MROQPQJFMXOTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-6-10(4-3-5-14)12-11(7-8)9(2)13(16)15-12/h6-7,9H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).