5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one

C13H18N2O — CID 82190459

IUPAC5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(N)Cc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-8(14)6-9-4-5-11-10(7-9)13(2,3)12(16)15-11/h4-5,7-8H,6,14H2,1-3H3,(H,15,16)
InChIKeyBIHBNLSAQWVPRG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.81
Rot. Bonds2

About 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one

5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 82190459) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID82190459
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(N)Cc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-8(14)6-9-4-5-11-10(7-9)13(2,3)12(16)15-11/h4-5,7-8H,6,14H2,1-3H3,(H,15,16)
InChIKeyBIHBNLSAQWVPRG-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
CID 82484806
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 117332888
5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 82496319
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
CID 110784036
5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one
CID 96669855
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1-phenylethyl)acetamide
CID 110770933
3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one
CID 82484213
5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 83154697

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one (CID 82190459) is 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one is CC(N)Cc1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is BIHBNLSAQWVPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(14)6-9-4-5-11-10(7-9)13(2,3)12(16)15-11/h4-5,7-8H,6,14H2,1-3H3,(H,15,16).
What are the key properties of 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one?
5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82190459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).