3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one

C16H24N2O — CID 82484806

IUPAC3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
SMILESCC(C)NC(C)Cc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C16H24N2O/c1-10(2)17-11(3)8-12-6-7-14-13(9-12)16(4,5)15(19)18-14/h6-7,9-11,17H,8H2,1-5H3,(H,18,19)
InChIKeyYVHZSPJZWOWVMM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds4

About 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one

3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one (PubChem CID 82484806) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
PubChem CID82484806
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
SMILESCC(C)NC(C)Cc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C16H24N2O/c1-10(2)17-11(3)8-12-6-7-14-13(9-12)16(4,5)15(19)18-14/h6-7,9-11,17H,8H2,1-5H3,(H,18,19)
InChIKeyYVHZSPJZWOWVMM-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
CID 82190459
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 82479600
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1-phenylethyl)acetamide
CID 110770933
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
CID 110784036
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 117332888
3,3-dimethyl-5-[4-(methylamino)butyl]-1H-indol-2-one
CID 96662884
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56687358
5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one
CID 98017086
3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one
CID 82500507
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one (CID 82484806) is 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one is CC(C)NC(C)Cc1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one?
The InChIKey is YVHZSPJZWOWVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10(2)17-11(3)8-12-6-7-14-13(9-12)16(4,5)15(19)18-14/h6-7,9-11,17H,8H2,1-5H3,(H,18,19).
What are the key properties of 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one?
3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one is sourced from PubChem (CID 82484806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).