1,2,2-trimethylazetidin-3-amine;hydroiodide

C6H15IN2 — CID 175004019

IUPAC1,2,2-trimethylazetidin-3-amine;hydroiodide
SMILESCN1CC(N)C1(C)C.I
InChIInChI=1S/C6H14N2.HI/c1-6(2)5(7)4-8(6)3;/h5H,4,7H2,1-3H3;1H
InChIKeyMYKPGHFATAIUOB-UHFFFAOYSA-N
MW242.10 g/mol
LogP0.66
Rot. Bonds

About 1,2,2-trimethylazetidin-3-amine;hydroiodide

1,2,2-trimethylazetidin-3-amine;hydroiodide (PubChem CID 175004019) has the molecular formula C6H15IN2 and a molecular weight of 242.10 g/mol. Its IUPAC name is 1,2,2-trimethylazetidin-3-amine;hydroiodide.

Molecular Properties

Compound Name1,2,2-trimethylazetidin-3-amine;hydroiodide
PubChem CID175004019
Molecular FormulaC6H15IN2
Molecular Weight242.10 g/mol
Exact Mass242.03
IUPAC Name1,2,2-trimethylazetidin-3-amine;hydroiodide
SMILESCN1CC(N)C1(C)C.I
InChIInChI=1S/C6H14N2.HI/c1-6(2)5(7)4-8(6)3;/h5H,4,7H2,1-3H3;1H
InChIKeyMYKPGHFATAIUOB-UHFFFAOYSA-N
XLogP0.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylazetidin-3-amine;hydroiodide?
The IUPAC name of 1,2,2-trimethylazetidin-3-amine;hydroiodide (CID 175004019) is 1,2,2-trimethylazetidin-3-amine;hydroiodide.
What is the SMILES notation for 1,2,2-trimethylazetidin-3-amine;hydroiodide?
The canonical SMILES for 1,2,2-trimethylazetidin-3-amine;hydroiodide is CN1CC(N)C1(C)C.I.
What is the InChIKey of 1,2,2-trimethylazetidin-3-amine;hydroiodide?
The InChIKey is MYKPGHFATAIUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.HI/c1-6(2)5(7)4-8(6)3;/h5H,4,7H2,1-3H3;1H.
What are the key properties of 1,2,2-trimethylazetidin-3-amine;hydroiodide?
1,2,2-trimethylazetidin-3-amine;hydroiodide has a molecular weight of 242.10 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylazetidin-3-amine;hydroiodide is sourced from PubChem (CID 175004019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).