1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone

C12H15NO — CID 130615296

IUPAC1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCC[C@@H]2N
InChIInChI=1S/C12H15NO/c1-8(14)9-5-6-11-10(7-9)3-2-4-12(11)13/h5-7,12H,2-4,13H2,1H3/t12-/m0/s1
InChIKeyMYSFUKKNJYQTAX-LBPRGKRZSA-N
MW189.26 g/mol
LogP2.23
Rot. Bonds1

About 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone

1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone (PubChem CID 130615296) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
PubChem CID130615296
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCC[C@@H]2N
InChIInChI=1S/C12H15NO/c1-8(14)9-5-6-11-10(7-9)3-2-4-12(11)13/h5-7,12H,2-4,13H2,1H3/t12-/m0/s1
InChIKeyMYSFUKKNJYQTAX-LBPRGKRZSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;chloromethane
CID 159655491
1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone
CID 90845496
5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 11323111
(5R)-5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 69046909
(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)carbamic acid
CID 135386697
1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246462
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
6-[3-[cyclopropyl(methyl)amino]prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 68927144
6-N-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 83816639
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 168737750
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone?
The IUPAC name of 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone (CID 130615296) is 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone is CC(=O)c1ccc2c(c1)CCC[C@@H]2N.
What is the InChIKey of 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone?
The InChIKey is MYSFUKKNJYQTAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(14)9-5-6-11-10(7-9)3-2-4-12(11)13/h5-7,12H,2-4,13H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone?
1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 130615296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).