N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide

C14H28IN3 — CID 109453571

IUPACN',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/C=C/CCN/C(=N\C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H27N3.HI/c1-7-8-9-10-16-12(15-6)17-11-13(2,3)14(17,4)5;/h7-8H,9-11H2,1-6H3,(H,15,16);1H/b8-7+;
InChIKeyZWRLWOOBMMKIHR-USRGLUTNSA-N
MW365.30 g/mol
LogP3.27
Rot. Bonds3

About N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide (PubChem CID 109453571) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide
PubChem CID109453571
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC NameN',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/C=C/CCN/C(=N\C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H27N3.HI/c1-7-8-9-10-16-12(15-6)17-11-13(2,3)14(17,4)5;/h7-8H,9-11H2,1-6H3,(H,15,16);1H/b8-7+;
InChIKeyZWRLWOOBMMKIHR-USRGLUTNSA-N
XLogP3.27
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451716
N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451717
N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide
CID 109452468
N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide
CID 109452469
N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide
CID 109453032
N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide
CID 109453572
N',3,3-trimethyl-N-pent-3-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 112184242
N-ethyl-3,3-dimethyl-N'-[(E)-pent-3-enyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 112184254

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide (CID 109453571) is N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide is C/C=C/CCN/C(=N\C)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide?
The InChIKey is ZWRLWOOBMMKIHR-USRGLUTNSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-7-8-9-10-16-12(15-6)17-11-13(2,3)14(17,4)5;/h7-8H,9-11H2,1-6H3,(H,15,16);1H/b8-7+;.
What are the key properties of N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.27, 3 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-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).