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

C13H26IN3 — CID 109452468

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide
SMILESC=CC/N=C(\NCC)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C13H25N3.HI/c1-7-9-15-11(14-8-2)16-10-12(3,4)13(16,5)6;/h7H,1,8-10H2,2-6H3,(H,14,15);1H
InChIKeyDFIXEFMJGOBMMX-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.88
Rot. Bonds3

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

N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109452468) has the molecular formula C13H26IN3 and a molecular weight of 351.28 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide
PubChem CID109452468
Molecular FormulaC13H26IN3
Molecular Weight351.28 g/mol
Exact Mass351.12
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide
SMILESC=CC/N=C(\NCC)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C13H25N3.HI/c1-7-9-15-11(14-8-2)16-10-12(3,4)13(16,5)6;/h7H,1,8-10H2,2-6H3,(H,14,15);1H
InChIKeyDFIXEFMJGOBMMX-UHFFFAOYSA-N
XLogP2.88
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.88
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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Related Compounds

N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide
CID 100660770
N',2,2,3,3-pentamethyl-N-propylazetidine-1-carboximidamide;hydroiodide
CID 109452280
N',2,2,3,3-pentamethyl-N-propylazetidine-1-carboximidamide
CID 109452281
N',2,2,3,3-pentamethyl-N-(3-methylbutyl)azetidine-1-carboximidamide;hydroiodide
CID 109452282
N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide
CID 109452469
N-ethyl-2,2,3,3-tetramethyl-N'-(2-prop-2-enylsulfanylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109452478
N,N'-diethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109452854
N,N'-diethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452855
N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide
CID 109453032
N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453035
N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453036
N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109453347

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide (CID 109452468) is N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide is C=CC/N=C(\NCC)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is DFIXEFMJGOBMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.HI/c1-7-9-15-11(14-8-2)16-10-12(3,4)13(16,5)6;/h7H,1,8-10H2,2-6H3,(H,14,15);1H.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide?
N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 351.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).