amino-dimethyl-pentylazanium

C7H19N2+ — CID 86026537

IUPACamino-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)N
InChIInChI=1S/C7H19N2/c1-4-5-6-7-9(2,3)8/h4-8H2,1-3H3/q+1
InChIKeyWCVGGRHXWHNXBQ-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.13
Rot. Bonds4

About amino-dimethyl-pentylazanium

amino-dimethyl-pentylazanium (PubChem CID 86026537) has the molecular formula C7H19N2+ and a molecular weight of 131.24 g/mol. Its IUPAC name is amino-dimethyl-pentylazanium.

Molecular Properties

Compound Nameamino-dimethyl-pentylazanium
PubChem CID86026537
Molecular FormulaC7H19N2+
Molecular Weight131.24 g/mol
Exact Mass131.15
IUPAC Nameamino-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)N
InChIInChI=1S/C7H19N2/c1-4-5-6-7-9(2,3)8/h4-8H2,1-3H3/q+1
InChIKeyWCVGGRHXWHNXBQ-UHFFFAOYSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

amino-dodecyl-dimethylazanium
CID 10422957
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptadecyl-dihexadecyl-methylazanium
CID 174998798
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
dibutyl-methyl-pentylazanium
CID 21452154
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
trimethyl(pentyl)azanium iodide
CID 29431

Frequently Asked Questions

What is the IUPAC name of amino-dimethyl-pentylazanium?
The IUPAC name of amino-dimethyl-pentylazanium (CID 86026537) is amino-dimethyl-pentylazanium.
What is the SMILES notation for amino-dimethyl-pentylazanium?
The canonical SMILES for amino-dimethyl-pentylazanium is CCCCC[N+](C)(C)N.
What is the InChIKey of amino-dimethyl-pentylazanium?
The InChIKey is WCVGGRHXWHNXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2/c1-4-5-6-7-9(2,3)8/h4-8H2,1-3H3/q+1.
What are the key properties of amino-dimethyl-pentylazanium?
amino-dimethyl-pentylazanium has a molecular weight of 131.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-dimethyl-pentylazanium is sourced from PubChem (CID 86026537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).