2-aminoethyl(trimethyl)azanium iodide

C5H15IN2 — CID 14933580

IUPAC2-aminoethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CCN.[I-]
InChIInChI=1S/C5H15N2.HI/c1-7(2,3)5-4-6;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyBTKVTCPNAUAQTR-UHFFFAOYSA-M
MW230.09 g/mol
LogP-3.34
Rot. Bonds2

About 2-aminoethyl(trimethyl)azanium iodide

2-aminoethyl(trimethyl)azanium iodide (PubChem CID 14933580) has the molecular formula C5H15IN2 and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-aminoethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name2-aminoethyl(trimethyl)azanium iodide
PubChem CID14933580
Molecular FormulaC5H15IN2
Molecular Weight230.09 g/mol
Exact Mass230.03
IUPAC Name2-aminoethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CCN.[I-]
InChIInChI=1S/C5H15N2.HI/c1-7(2,3)5-4-6;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyBTKVTCPNAUAQTR-UHFFFAOYSA-M
XLogP-3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 5-3.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(trimethyl)azanium iodide?
The IUPAC name of 2-aminoethyl(trimethyl)azanium iodide (CID 14933580) is 2-aminoethyl(trimethyl)azanium iodide.
What is the SMILES notation for 2-aminoethyl(trimethyl)azanium iodide?
The canonical SMILES for 2-aminoethyl(trimethyl)azanium iodide is C[N+](C)(C)CCN.[I-].
What is the InChIKey of 2-aminoethyl(trimethyl)azanium iodide?
The InChIKey is BTKVTCPNAUAQTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H15N2.HI/c1-7(2,3)5-4-6;/h4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-aminoethyl(trimethyl)azanium iodide?
2-aminoethyl(trimethyl)azanium iodide has a molecular weight of 230.09 g/mol, XLogP of -3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(trimethyl)azanium iodide is sourced from PubChem (CID 14933580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).