5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C13H17NO2 — CID 105474285

IUPAC5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCCNC1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C13H17NO2/c1-2-14-12-8-4-5-9-10(12)6-3-7-11(9)13(15)16/h3,6-7,12,14H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyFUGWPNTZVKEYFL-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.37
Rot. Bonds3

About 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 105474285) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID105474285
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCCNC1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C13H17NO2/c1-2-14-12-8-4-5-9-10(12)6-3-7-11(9)13(15)16/h3,6-7,12,14H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyFUGWPNTZVKEYFL-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105458622
2-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propanamide
CID 65453859
1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105493193
2-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N,N-dimethylpropanamide
CID 65455936
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456133
5-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 167863301
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454800
4-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butanenitrile
CID 65454998
1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105458629

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 105474285) is 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is CCNC1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is FUGWPNTZVKEYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-14-12-8-4-5-9-10(12)6-3-7-11(9)13(15)16/h3,6-7,12,14H,2,4-5,8H2,1H3,(H,15,16).
What are the key properties of 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 105474285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).