(3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride

C18H24ClNO2 — CID 22884

IUPAC(3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride
SMILESCCC(CC[NH+](C)C)(C(=O)O)c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C18H23NO2.ClH/c1-4-18(17(20)21,12-13-19(2)3)16-11-7-9-14-8-5-6-10-15(14)16;/h5-11H,4,12-13H2,1-3H3,(H,20,21);1H
InChIKeyQWNVHTAKOGMCRQ-UHFFFAOYSA-N
MW321.85 g/mol
LogP-0.89
Rot. Bonds6

About (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride

(3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride (PubChem CID 22884) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride.

Molecular Properties

Compound Name(3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride
PubChem CID22884
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name(3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride
SMILESCCC(CC[NH+](C)C)(C(=O)O)c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C18H23NO2.ClH/c1-4-18(17(20)21,12-13-19(2)3)16-11-7-9-14-8-5-6-10-15(14)16;/h5-11H,4,12-13H2,1-3H3,(H,20,21);1H
InChIKeyQWNVHTAKOGMCRQ-UHFFFAOYSA-N
XLogP-0.89
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride?
The IUPAC name of (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride (CID 22884) is (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride.
What is the SMILES notation for (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride?
The canonical SMILES for (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride is CCC(CC[NH+](C)C)(C(=O)O)c1cccc2ccccc12.[Cl-].
What is the InChIKey of (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride?
The InChIKey is QWNVHTAKOGMCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-4-18(17(20)21,12-13-19(2)3)16-11-7-9-14-8-5-6-10-15(14)16;/h5-11H,4,12-13H2,1-3H3,(H,20,21);1H.
What are the key properties of (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride?
(3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride has a molecular weight of 321.85 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carboxy-3-naphthalen-1-ylpentyl)-dimethylazanium chloride is sourced from PubChem (CID 22884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).