N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide

C12H24IN3 — CID 109453032

IUPACN',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C12H23N3.HI/c1-7-8-14-10(13-6)15-9-11(2,3)12(15,4)5;/h7H,1,8-9H2,2-6H3,(H,13,14);1H
InChIKeyZYOSMUVNUISVIF-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.49
Rot. Bonds2

About N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109453032) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide
PubChem CID109453032
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC NameN',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C12H23N3.HI/c1-7-8-14-10(13-6)15-9-11(2,3)12(15,4)5;/h7H,1,8-9H2,2-6H3,(H,13,14);1H
InChIKeyZYOSMUVNUISVIF-UHFFFAOYSA-N
XLogP2.49
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide (CID 109453032) is N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide is C=CCN/C(=N\C)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is ZYOSMUVNUISVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.HI/c1-7-8-14-10(13-6)15-9-11(2,3)12(15,4)5;/h7H,1,8-9H2,2-6H3,(H,13,14);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 337.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).