5-carboxypentyl-diethyl-methylazanium chloride

C11H24ClNO2 — CID 70693155

IUPAC5-carboxypentyl-diethyl-methylazanium chloride
SMILESCC[N+](C)(CC)CCCCCC(=O)O.[Cl-]
InChIInChI=1S/C11H23NO2.ClH/c1-4-12(3,5-2)10-8-6-7-9-11(13)14;/h4-10H2,1-3H3;1H
InChIKeySRUIQPZMXJXCGQ-UHFFFAOYSA-N
MW237.77 g/mol
LogP-0.88
Rot. Bonds8

About 5-carboxypentyl-diethyl-methylazanium chloride

5-carboxypentyl-diethyl-methylazanium chloride (PubChem CID 70693155) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is 5-carboxypentyl-diethyl-methylazanium chloride.

Molecular Properties

Compound Name5-carboxypentyl-diethyl-methylazanium chloride
PubChem CID70693155
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Name5-carboxypentyl-diethyl-methylazanium chloride
SMILESCC[N+](C)(CC)CCCCCC(=O)O.[Cl-]
InChIInChI=1S/C11H23NO2.ClH/c1-4-12(3,5-2)10-8-6-7-9-11(13)14;/h4-10H2,1-3H3;1H
InChIKeySRUIQPZMXJXCGQ-UHFFFAOYSA-N
XLogP-0.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 5-0.88
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
1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride
CID 10332420
4-Carboxybutyl(tripropyl)azanium chloride
CID 70686869
4-Carboxybutyl(triethyl)azanium chloride
CID 70688927
6-Carboxyhexyl(trimethyl)azanium chloride
CID 70691025
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-diethyl-methylazanium chloride?
The IUPAC name of 5-carboxypentyl-diethyl-methylazanium chloride (CID 70693155) is 5-carboxypentyl-diethyl-methylazanium chloride.
What is the SMILES notation for 5-carboxypentyl-diethyl-methylazanium chloride?
The canonical SMILES for 5-carboxypentyl-diethyl-methylazanium chloride is CC[N+](C)(CC)CCCCCC(=O)O.[Cl-].
What is the InChIKey of 5-carboxypentyl-diethyl-methylazanium chloride?
The InChIKey is SRUIQPZMXJXCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-4-12(3,5-2)10-8-6-7-9-11(13)14;/h4-10H2,1-3H3;1H.
What are the key properties of 5-carboxypentyl-diethyl-methylazanium chloride?
5-carboxypentyl-diethyl-methylazanium chloride has a molecular weight of 237.77 g/mol, XLogP of -0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxypentyl-diethyl-methylazanium chloride is sourced from PubChem (CID 70693155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).