5-carboxypentyl(triethyl)azanium chloride

C12H26ClNO2 — CID 10332420

IUPAC5-carboxypentyl(triethyl)azanium chloride
SMILESCC[N+](CC)(CC)CCCCCC(=O)O.[Cl-]
InChIInChI=1S/C12H25NO2.ClH/c1-4-13(5-2,6-3)11-9-7-8-10-12(14)15;/h4-11H2,1-3H3;1H
InChIKeyPFUQWEKHIPEYDW-UHFFFAOYSA-N
MW251.80 g/mol
LogP-0.49
Rot. Bonds9

About 5-carboxypentyl(triethyl)azanium chloride

5-carboxypentyl(triethyl)azanium chloride (PubChem CID 10332420) has the molecular formula C12H26ClNO2 and a molecular weight of 251.80 g/mol. Its IUPAC name is 5-carboxypentyl(triethyl)azanium chloride.

Molecular Properties

Compound Name5-carboxypentyl(triethyl)azanium chloride
PubChem CID10332420
Molecular FormulaC12H26ClNO2
Molecular Weight251.80 g/mol
Exact Mass251.17
IUPAC Name5-carboxypentyl(triethyl)azanium chloride
SMILESCC[N+](CC)(CC)CCCCCC(=O)O.[Cl-]
InChIInChI=1S/C12H25NO2.ClH/c1-4-13(5-2,6-3)11-9-7-8-10-12(14)15;/h4-11H2,1-3H3;1H
InChIKeyPFUQWEKHIPEYDW-UHFFFAOYSA-N
XLogP-0.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-carboxy-N,N,N-trimethyl-1-butanaminium chloride
CID 70693161
6-(Dimethylamino)hexanoic acid
CID 14052847
6-(Trimethylazaniumyl)hexanoate
CID 13257220
5-Carboxy-N,N,N-trimethylpentan-1-aminium chloride
CID 70695230
2-(1-Ethylpyrrolidin-2-yl)acetic acid hydrochloride
CID 12778856
4-Carboxybutyl(tripropyl)azanium chloride
CID 70686869
4-Carboxybutyl(triethyl)azanium chloride
CID 70688927
6-Carboxyhexyl(trimethyl)azanium chloride
CID 70691025
5-Carboxypentyl-diethyl-methylazanium chloride
CID 70693155
4-Carboxybutyl-diethyl-methylazanium chloride
CID 70693157
6-Carboxyhexyl(triethyl)azanium chloride
CID 70695232
6-Carboxyhexyl-diethyl-methylazanium chloride
CID 70697256

Frequently Asked Questions

What is the IUPAC name of 5-carboxypentyl(triethyl)azanium chloride?
The IUPAC name of 5-carboxypentyl(triethyl)azanium chloride (CID 10332420) is 5-carboxypentyl(triethyl)azanium chloride.
What is the SMILES notation for 5-carboxypentyl(triethyl)azanium chloride?
The canonical SMILES for 5-carboxypentyl(triethyl)azanium chloride is CC[N+](CC)(CC)CCCCCC(=O)O.[Cl-].
What is the InChIKey of 5-carboxypentyl(triethyl)azanium chloride?
The InChIKey is PFUQWEKHIPEYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.ClH/c1-4-13(5-2,6-3)11-9-7-8-10-12(14)15;/h4-11H2,1-3H3;1H.
What are the key properties of 5-carboxypentyl(triethyl)azanium chloride?
5-carboxypentyl(triethyl)azanium chloride has a molecular weight of 251.80 g/mol, XLogP of -0.49, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxypentyl(triethyl)azanium chloride is sourced from PubChem (CID 10332420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).