3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one

C17H25N3O — CID 81301595

IUPAC3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(N)c2ccc(N3CCCC(C)(C)CC3)cc21
InChIInChI=1S/C17H25N3O/c1-17(2)7-4-9-20(10-8-17)12-5-6-13-14(11-12)19(3)16(21)15(13)18/h5-6,11,15H,4,7-10,18H2,1-3H3
InChIKeyGGFVGLYUSHOYBC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.68
Rot. Bonds1

About 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one

3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one (PubChem CID 81301595) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one
PubChem CID81301595
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(N)c2ccc(N3CCCC(C)(C)CC3)cc21
InChIInChI=1S/C17H25N3O/c1-17(2)7-4-9-20(10-8-17)12-5-6-13-14(11-12)19(3)16(21)15(13)18/h5-6,11,15H,4,7-10,18H2,1-3H3
InChIKeyGGFVGLYUSHOYBC-UHFFFAOYSA-N
XLogP2.68
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one
CID 103496851
3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one
CID 106836266
6-(4,4-dimethylazepan-1-yl)-1-methylindole-2,3-dione
CID 81301722
3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one
CID 81308553
3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one
CID 81308775
3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one
CID 102959004
3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one
CID 81300740
5-(4,4-dimethylazepan-1-yl)-2-methylaniline
CID 65283379
(3R)-3-amino-1-[4-(4,4-dimethylpiperidin-1-yl)phenyl]piperidin-2-one
CID 154971451
4-(4,4-dimethylazepan-1-yl)-2-(trifluoromethyl)aniline
CID 65283576
ethyl 2-amino-5-(4,4-dimethylazepan-1-yl)benzoate
CID 65286422
6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81309665

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one (CID 81301595) is 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one is CN1C(=O)C(N)c2ccc(N3CCCC(C)(C)CC3)cc21.
What is the InChIKey of 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one?
The InChIKey is GGFVGLYUSHOYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2)7-4-9-20(10-8-17)12-5-6-13-14(11-12)19(3)16(21)15(13)18/h5-6,11,15H,4,7-10,18H2,1-3H3.
What are the key properties of 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one?
3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81301595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).