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

C14H19NO — CID 116560239

IUPAC3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
SMILESCC(C)(N)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO/c1-14(2,15)13(16)9-10-6-7-11-4-3-5-12(11)8-10/h6-8H,3-5,9,15H2,1-2H3
InChIKeyODAKEWPGRSYQFY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.02
Rot. Bonds3

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

3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one (PubChem CID 116560239) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
PubChem CID116560239
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
SMILESCC(C)(N)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO/c1-14(2,15)13(16)9-10-6-7-11-4-3-5-12(11)8-10/h6-8H,3-5,9,15H2,1-2H3
InChIKeyODAKEWPGRSYQFY-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
CID 116558583
1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one
CID 103446716
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
5-(3-amino-3-methyl-2-oxobutyl)-2-methyl-1,3-dihydroindene-2-carboxamide
CID 58345382
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
CID 116560214
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
N-hydroxy-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 15670573
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylcyclopropyl)ethanone
CID 65420155

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one?
The IUPAC name of 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one (CID 116560239) is 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one?
The canonical SMILES for 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one is CC(C)(N)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one?
The InChIKey is ODAKEWPGRSYQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,15)13(16)9-10-6-7-11-4-3-5-12(11)8-10/h6-8H,3-5,9,15H2,1-2H3.
What are the key properties of 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one?
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one is sourced from PubChem (CID 116560239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).