8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C14H19NO2 — CID 105493137

IUPAC8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCN(C)CC1CCCc2cccc(C(=O)O)c21
InChIInChI=1S/C14H19NO2/c1-15(2)9-11-7-3-5-10-6-4-8-12(13(10)11)14(16)17/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,17)
InChIKeyQUSNAMAVFFNSAN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.37
Rot. Bonds3

About 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 105493137) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID105493137
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCN(C)CC1CCCc2cccc(C(=O)O)c21
InChIInChI=1S/C14H19NO2/c1-15(2)9-11-7-3-5-10-6-4-8-12(13(10)11)14(16)17/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,17)
InChIKeyQUSNAMAVFFNSAN-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 105493137) is 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is CN(C)CC1CCCc2cccc(C(=O)O)c21.
What is the InChIKey of 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is QUSNAMAVFFNSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(2)9-11-7-3-5-10-6-4-8-12(13(10)11)14(16)17/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,17).
What are the key properties of 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 105493137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).