N,N-diethyl-2-iodoethanamine;hydroiodide

C6H15I2N — CID 134691049

IUPACN,N-diethyl-2-iodoethanamine;hydroiodide
SMILESCCN(CC)CCI.I
InChIInChI=1S/C6H14IN.HI/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
InChIKeyPYJIENIOICTQIP-UHFFFAOYSA-N
MW355.00 g/mol
LogP2.38
Rot. Bonds4

About N,N-diethyl-2-iodoethanamine;hydroiodide

N,N-diethyl-2-iodoethanamine;hydroiodide (PubChem CID 134691049) has the molecular formula C6H15I2N and a molecular weight of 355.00 g/mol. Its IUPAC name is N,N-diethyl-2-iodoethanamine;hydroiodide.

Molecular Properties

Compound NameN,N-diethyl-2-iodoethanamine;hydroiodide
PubChem CID134691049
Molecular FormulaC6H15I2N
Molecular Weight355.00 g/mol
Exact Mass354.93
IUPAC NameN,N-diethyl-2-iodoethanamine;hydroiodide
SMILESCCN(CC)CCI.I
InChIInChI=1S/C6H14IN.HI/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
InChIKeyPYJIENIOICTQIP-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.00
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-iodoethanamine;hydroiodide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-iodoethanamine;hydroiodide?
The IUPAC name of N,N-diethyl-2-iodoethanamine;hydroiodide (CID 134691049) is N,N-diethyl-2-iodoethanamine;hydroiodide.
What is the SMILES notation for N,N-diethyl-2-iodoethanamine;hydroiodide?
The canonical SMILES for N,N-diethyl-2-iodoethanamine;hydroiodide is CCN(CC)CCI.I.
What is the InChIKey of N,N-diethyl-2-iodoethanamine;hydroiodide?
The InChIKey is PYJIENIOICTQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14IN.HI/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-iodoethanamine;hydroiodide?
N,N-diethyl-2-iodoethanamine;hydroiodide has a molecular weight of 355.00 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-iodoethanamine;hydroiodide is sourced from PubChem (CID 134691049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).