azane;2,3-dihexylnaphthalene-1-carboxylic acid

C23H35NO2 — CID 70170579

IUPACazane;2,3-dihexylnaphthalene-1-carboxylic acid
SMILESCCCCCCc1cc2ccccc2c(C(=O)O)c1CCCCCC.N
InChIInChI=1S/C23H32O2.H3N/c1-3-5-7-9-13-18-17-19-14-11-12-16-21(19)22(23(24)25)20(18)15-10-8-6-4-2;/h11-12,14,16-17H,3-10,13,15H2,1-2H3,(H,24,25);1H3
InChIKeyXYXGFXYPAXKXJS-UHFFFAOYSA-N
MW357.54 g/mol
LogP6.95
Rot. Bonds11

About azane;2,3-dihexylnaphthalene-1-carboxylic acid

azane;2,3-dihexylnaphthalene-1-carboxylic acid (PubChem CID 70170579) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is azane;2,3-dihexylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Nameazane;2,3-dihexylnaphthalene-1-carboxylic acid
PubChem CID70170579
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Nameazane;2,3-dihexylnaphthalene-1-carboxylic acid
SMILESCCCCCCc1cc2ccccc2c(C(=O)O)c1CCCCCC.N
InChIInChI=1S/C23H32O2.H3N/c1-3-5-7-9-13-18-17-19-14-11-12-16-21(19)22(23(24)25)20(18)15-10-8-6-4-2;/h11-12,14,16-17H,3-10,13,15H2,1-2H3,(H,24,25);1H3
InChIKeyXYXGFXYPAXKXJS-UHFFFAOYSA-N
XLogP6.95
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;2,3-di(nonyl)naphthalene-1-carboxylic acid;hydride
CID 174547985
3-hexadecyl-2-hydroxynaphthalene-1-carboxylic acid
CID 21475806
2-pentylnaphthalene-1-carboxylic acid
CID 67806914
1,2,3-trioctylnaphthalene
CID 20513034
calcium;2,3-di(nonyl)naphthalene-1-sulfonic acid;hydride
CID 173226904
2,3-dihexylnaphthalene-1-sulfonic acid;formaldehyde
CID 130237556
2,3-di(nonyl)naphthalene-1-sulfonamide
CID 163976161
1,3-dioctylnaphthalene-2-sulfonic acid
CID 101319467
lithium 2,3-di(undecyl)naphthalene-1-sulfonate
CID 139620660
2,3-dihydroxy-5,6-dioctylbenzoic acid
CID 87859104
dicalcium;tetrakis(2,3-di(nonyl)naphthalene-1-sulfonate)
CID 139618669
sodium 2,3-di(heptadecyl)naphthalene-1-sulfonate
CID 122612411

Frequently Asked Questions

What is the IUPAC name of azane;2,3-dihexylnaphthalene-1-carboxylic acid?
The IUPAC name of azane;2,3-dihexylnaphthalene-1-carboxylic acid (CID 70170579) is azane;2,3-dihexylnaphthalene-1-carboxylic acid.
What is the SMILES notation for azane;2,3-dihexylnaphthalene-1-carboxylic acid?
The canonical SMILES for azane;2,3-dihexylnaphthalene-1-carboxylic acid is CCCCCCc1cc2ccccc2c(C(=O)O)c1CCCCCC.N.
What is the InChIKey of azane;2,3-dihexylnaphthalene-1-carboxylic acid?
The InChIKey is XYXGFXYPAXKXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2.H3N/c1-3-5-7-9-13-18-17-19-14-11-12-16-21(19)22(23(24)25)20(18)15-10-8-6-4-2;/h11-12,14,16-17H,3-10,13,15H2,1-2H3,(H,24,25);1H3.
What are the key properties of azane;2,3-dihexylnaphthalene-1-carboxylic acid?
azane;2,3-dihexylnaphthalene-1-carboxylic acid has a molecular weight of 357.54 g/mol, XLogP of 6.95, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-dihexylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 70170579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).