2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine

C7H16IN3 — CID 90350369

IUPAC2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCI)N(C)C
InChIInChI=1S/C7H16IN3/c1-10(2)7(11(3)4)9-6-5-8/h5-6H2,1-4H3
InChIKeyZPIOXQLXNKEHFD-UHFFFAOYSA-N
MW269.13 g/mol
LogP0.90
Rot. Bonds2

About 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine

2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine (PubChem CID 90350369) has the molecular formula C7H16IN3 and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine
PubChem CID90350369
Molecular FormulaC7H16IN3
Molecular Weight269.13 g/mol
Exact Mass269.04
IUPAC Name2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCI)N(C)C
InChIInChI=1S/C7H16IN3/c1-10(2)7(11(3)4)9-6-5-8/h5-6H2,1-4H3
InChIKeyZPIOXQLXNKEHFD-UHFFFAOYSA-N
XLogP0.90
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine (CID 90350369) is 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine is CN(C)C(=NCCI)N(C)C.
What is the InChIKey of 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine?
The InChIKey is ZPIOXQLXNKEHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IN3/c1-10(2)7(11(3)4)9-6-5-8/h5-6H2,1-4H3.
What are the key properties of 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine?
2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine has a molecular weight of 269.13 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 90350369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).