4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one

C14H19NO — CID 82341441

IUPAC4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
SMILESNCCCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19NO/c15-9-3-6-14(16)13-8-7-11-4-1-2-5-12(11)10-13/h7-8,10H,1-6,9,15H2
InChIKeyGBAHGAFOIRCZKG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds4

About 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one

4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one (PubChem CID 82341441) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
PubChem CID82341441
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
SMILESNCCCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19NO/c15-9-3-6-14(16)13-8-7-11-4-1-2-5-12(11)10-13/h7-8,10H,1-6,9,15H2
InChIKeyGBAHGAFOIRCZKG-UHFFFAOYSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
N,N-dimethyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 82121263
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
4-amino-1-(3,4-difluorophenyl)butan-1-one
CID 82341709
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one
CID 116572068
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
but-2-enyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 76855279
5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118313504

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The IUPAC name of 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one (CID 82341441) is 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one is NCCCC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The InChIKey is GBAHGAFOIRCZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-9-3-6-14(16)13-8-7-11-4-1-2-5-12(11)10-13/h7-8,10H,1-6,9,15H2.
What are the key properties of 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one is sourced from PubChem (CID 82341441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).