6-carboxyhexyl(trimethyl)azanium

C10H22NO2+ — CID 70691026

IUPAC6-carboxyhexyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3/p+1
InChIKeyJSDADMHUMPHJHI-UHFFFAOYSA-O
MW188.29 g/mol
LogP1.73
Rot. Bonds7

About 6-carboxyhexyl(trimethyl)azanium

6-carboxyhexyl(trimethyl)azanium (PubChem CID 70691026) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is 6-carboxyhexyl(trimethyl)azanium.

Molecular Properties

Compound Name6-carboxyhexyl(trimethyl)azanium
PubChem CID70691026
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name6-carboxyhexyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3/p+1
InChIKeyJSDADMHUMPHJHI-UHFFFAOYSA-O
XLogP1.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.73
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

hexadecanoic acid;hexadecyl(trimethyl)azanium;chloride
CID 87402341
hexyl(trimethyl)azanium;pentanoic acid
CID 87857161
bis(11-carboxyundecyl)-dimethylazanium
CID 102174919
CID 87932920
CID 87932920
(14-chloro-14-oxotetradecyl)-trimethylazanium
CID 177226605
16-(trimethylazaniumyl)hexadecanoate
CID 172771890
methanol;tridecanedioic acid
CID 175511493
CID 176507879
CID 176507879
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
2-hydroxyethyl(trimethyl)azanium;12-hydroxy-12-oxododecanoate
CID 159467086

Frequently Asked Questions

What is the IUPAC name of 6-carboxyhexyl(trimethyl)azanium?
The IUPAC name of 6-carboxyhexyl(trimethyl)azanium (CID 70691026) is 6-carboxyhexyl(trimethyl)azanium.
What is the SMILES notation for 6-carboxyhexyl(trimethyl)azanium?
The canonical SMILES for 6-carboxyhexyl(trimethyl)azanium is C[N+](C)(C)CCCCCCC(=O)O.
What is the InChIKey of 6-carboxyhexyl(trimethyl)azanium?
The InChIKey is JSDADMHUMPHJHI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO2/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3/p+1.
What are the key properties of 6-carboxyhexyl(trimethyl)azanium?
6-carboxyhexyl(trimethyl)azanium has a molecular weight of 188.29 g/mol, XLogP of 1.73, 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 is sourced from PubChem (CID 70691026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).