2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C17H26N2O2 — CID 115327353

IUPAC2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC(C)CCCCNc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C17H26N2O2/c1-12(2)7-5-6-10-18-16-14(17(20)21)11-13-8-3-4-9-15(13)19-16/h11-12H,3-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLCNIDOONBQHRPC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.90
Rot. Bonds7

About 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 115327353) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID115327353
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC(C)CCCCNc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C17H26N2O2/c1-12(2)7-5-6-10-18-16-14(17(20)21)11-13-8-3-4-9-15(13)19-16/h11-12H,3-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLCNIDOONBQHRPC-UHFFFAOYSA-N
XLogP3.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 115327353) is 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CC(C)CCCCNc1nc2c(cc1C(=O)O)CCCC2.
What is the InChIKey of 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is LCNIDOONBQHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)7-5-6-10-18-16-14(17(20)21)11-13-8-3-4-9-15(13)19-16/h11-12H,3-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 115327353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).