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

C15H21NO — CID 116572068

IUPAC6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one
SMILESNCCCCC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO/c16-9-2-1-6-15(17)11-12-7-8-13-4-3-5-14(13)10-12/h7-8,10H,1-6,9,11,16H2
InChIKeyXXBLMDHQNWHGRW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.42
Rot. Bonds6

About 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one

6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one (PubChem CID 116572068) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one.

Molecular Properties

Compound Name6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one
PubChem CID116572068
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one
SMILESNCCCCC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO/c16-9-2-1-6-15(17)11-12-7-8-13-4-3-5-14(13)10-12/h7-8,10H,1-6,9,11,16H2
InChIKeyXXBLMDHQNWHGRW-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutan-2-one
CID 105103817
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116599561
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
6-amino-1-(4-bromophenyl)hexan-2-one
CID 116572013
7-amino-1-(4-chlorophenyl)heptan-2-one
CID 116549885
7-amino-1-(4-hydroxyphenyl)heptan-2-one
CID 116550069
4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 82341441
6-amino-1-phenylhexan-2-one
CID 57063081
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116614445
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one?
The IUPAC name of 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one (CID 116572068) is 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one.
What is the SMILES notation for 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one?
The canonical SMILES for 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one is NCCCCC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one?
The InChIKey is XXBLMDHQNWHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-9-2-1-6-15(17)11-12-7-8-13-4-3-5-14(13)10-12/h7-8,10H,1-6,9,11,16H2.
What are the key properties of 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one?
6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one is sourced from PubChem (CID 116572068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).