2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one

C13H17NO — CID 71326492

IUPAC2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCC(N)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C13H17NO/c1-9(14)13(15)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8,14H2,1H3
InChIKeyASGJKQVVVNBFGS-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.02
Rot. Bonds2

About 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one

2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one (PubChem CID 71326492) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
PubChem CID71326492
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCC(N)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C13H17NO/c1-9(14)13(15)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8,14H2,1H3
InChIKeyASGJKQVVVNBFGS-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 114282258
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
N-(1-aminopropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119584567
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
N-(1-amino-1-hydroxyiminopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 76948358
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55090369
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one (CID 71326492) is 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one is CC(N)C(=O)C1CCCc2ccccc21.
What is the InChIKey of 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
The InChIKey is ASGJKQVVVNBFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(14)13(15)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8,14H2,1H3.
What are the key properties of 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one has a molecular weight of 203.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 71326492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).