6-carboxyhexyl(trimethyl)azanium chloride

C10H22ClNO2 — CID 70691025

IUPAC6-carboxyhexyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CCCCCCC(=O)O.[Cl-]
InChIInChI=1S/C10H21NO2.ClH/c1-11(2,3)9-7-5-4-6-8-10(12)13;/h4-9H2,1-3H3;1H
InChIKeySMJYCLQJTGXOJK-UHFFFAOYSA-N
MW223.74 g/mol
LogP-1.27
Rot. Bonds7

About 6-carboxyhexyl(trimethyl)azanium chloride

6-carboxyhexyl(trimethyl)azanium chloride (PubChem CID 70691025) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is 6-carboxyhexyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name6-carboxyhexyl(trimethyl)azanium chloride
PubChem CID70691025
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name6-carboxyhexyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CCCCCCC(=O)O.[Cl-]
InChIInChI=1S/C10H21NO2.ClH/c1-11(2,3)9-7-5-4-6-8-10(12)13;/h4-9H2,1-3H3;1H
InChIKeySMJYCLQJTGXOJK-UHFFFAOYSA-N
XLogP-1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 5-1.27
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'}

Analyze 6-carboxyhexyl(trimethyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octadecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 84620
Hexadecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 44145843
Tetradecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 44150070
Dodecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 57346625
6-(Dimethylamino)hexanoic acid
CID 14052847
6-(Trimethylazaniumyl)hexanoate
CID 13257220
5-Carboxy-N,N,N-trimethylpentan-1-aminium chloride
CID 70695230
Octanoic acid, compound with tributylamine (1:1)
CID 6453403
N-Butyl-10-carboxy-N,N-dimethyldecan-1-aminium bromide
CID 12590125
2-(1-Methylpiperidin-2-yl)acetic acid hydrochloride
CID 45156844
1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride
CID 10332420
5-Carboxypentyl-diethyl-methylazanium chloride
CID 70693155

Frequently Asked Questions

What is the IUPAC name of 6-carboxyhexyl(trimethyl)azanium chloride?
The IUPAC name of 6-carboxyhexyl(trimethyl)azanium chloride (CID 70691025) is 6-carboxyhexyl(trimethyl)azanium chloride.
What is the SMILES notation for 6-carboxyhexyl(trimethyl)azanium chloride?
The canonical SMILES for 6-carboxyhexyl(trimethyl)azanium chloride is C[N+](C)(C)CCCCCCC(=O)O.[Cl-].
What is the InChIKey of 6-carboxyhexyl(trimethyl)azanium chloride?
The InChIKey is SMJYCLQJTGXOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-11(2,3)9-7-5-4-6-8-10(12)13;/h4-9H2,1-3H3;1H.
What are the key properties of 6-carboxyhexyl(trimethyl)azanium chloride?
6-carboxyhexyl(trimethyl)azanium chloride has a molecular weight of 223.74 g/mol, XLogP of -1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carboxyhexyl(trimethyl)azanium chloride is sourced from PubChem (CID 70691025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).