butyl(5-carboxypentyl)azanium

C10H22NO2+ — CID 145146425

IUPACbutyl(5-carboxypentyl)azanium
SMILESCCCC[NH2+]CCCCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-2-3-8-11-9-6-4-5-7-10(12)13/h11H,2-9H2,1H3,(H,12,13)/p+1
InChIKeyPEYYJYSHUJUYFE-UHFFFAOYSA-O
MW188.29 g/mol
LogP0.99
Rot. Bonds9

About butyl(5-carboxypentyl)azanium

butyl(5-carboxypentyl)azanium (PubChem CID 145146425) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is butyl(5-carboxypentyl)azanium.

Molecular Properties

Compound Namebutyl(5-carboxypentyl)azanium
PubChem CID145146425
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Namebutyl(5-carboxypentyl)azanium
SMILESCCCC[NH2+]CCCCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-2-3-8-11-9-6-4-5-7-10(12)13/h11H,2-9H2,1H3,(H,12,13)/p+1
InChIKeyPEYYJYSHUJUYFE-UHFFFAOYSA-O
XLogP0.99
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of butyl(5-carboxypentyl)azanium?
The IUPAC name of butyl(5-carboxypentyl)azanium (CID 145146425) is butyl(5-carboxypentyl)azanium.
What is the SMILES notation for butyl(5-carboxypentyl)azanium?
The canonical SMILES for butyl(5-carboxypentyl)azanium is CCCC[NH2+]CCCCCC(=O)O.
What is the InChIKey of butyl(5-carboxypentyl)azanium?
The InChIKey is PEYYJYSHUJUYFE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO2/c1-2-3-8-11-9-6-4-5-7-10(12)13/h11H,2-9H2,1H3,(H,12,13)/p+1.
What are the key properties of butyl(5-carboxypentyl)azanium?
butyl(5-carboxypentyl)azanium has a molecular weight of 188.29 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(5-carboxypentyl)azanium is sourced from PubChem (CID 145146425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).