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

C15H21NO — CID 116581175

IUPAC4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
SMILESCC(C)(N)CC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO/c1-15(2,16)10-14(17)9-11-6-7-12-4-3-5-13(12)8-11/h6-8H,3-5,9-10,16H2,1-2H3
InChIKeyKWZDIVBRNIYFES-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.41
Rot. Bonds4

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

4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one (PubChem CID 116581175) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
PubChem CID116581175
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
SMILESCC(C)(N)CC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO/c1-15(2,16)10-14(17)9-11-6-7-12-4-3-5-13(12)8-11/h6-8H,3-5,9-10,16H2,1-2H3
InChIKeyKWZDIVBRNIYFES-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
CID 116581156
3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
CID 116558583
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one
CID 116572068
1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one
CID 103446716
1-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutan-2-one
CID 105103817
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589560
1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116599561
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116614445

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one?
The IUPAC name of 4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one (CID 116581175) is 4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one.
What is the SMILES notation for 4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one?
The canonical SMILES for 4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one is CC(C)(N)CC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one?
The InChIKey is KWZDIVBRNIYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,16)10-14(17)9-11-6-7-12-4-3-5-13(12)8-11/h6-8H,3-5,9-10,16H2,1-2H3.
What are the key properties of 4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one?
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one is sourced from PubChem (CID 116581175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).