4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one

C15H21N3O — CID 102887555

IUPAC4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C2CCc3cc(N)ccc32)CC1=O
InChIInChI=1S/C15H21N3O/c1-17-7-2-8-18(10-15(17)19)14-6-3-11-9-12(16)4-5-13(11)14/h4-5,9,14H,2-3,6-8,10,16H2,1H3
InChIKeyNYOGMHHFZZPBLK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.42
Rot. Bonds1

About 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one

4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102887555) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID102887555
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C2CCc3cc(N)ccc32)CC1=O
InChIInChI=1S/C15H21N3O/c1-17-7-2-8-18(10-15(17)19)14-6-3-11-9-12(16)4-5-13(11)14/h4-5,9,14H,2-3,6-8,10,16H2,1H3
InChIKeyNYOGMHHFZZPBLK-UHFFFAOYSA-N
XLogP1.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-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

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
CID 79741185
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103541608
1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidine-2,6-dione
CID 116650629
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79742082
1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
CID 79741363
1-(2-azaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79746635
1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721711
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362
1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 105471084
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79936509

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one (CID 102887555) is 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C2CCc3cc(N)ccc32)CC1=O.
What is the InChIKey of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is NYOGMHHFZZPBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-7-2-8-18(10-15(17)19)14-6-3-11-9-12(16)4-5-13(11)14/h4-5,9,14H,2-3,6-8,10,16H2,1H3.
What are the key properties of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one?
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102887555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).