N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide

C14H27F3IN3 — CID 109453551

IUPACN',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCC(F)(F)F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H26F3N3.HI/c1-12(2)10-20(13(12,3)4)11(18-5)19-9-7-6-8-14(15,16)17;/h6-10H2,1-5H3,(H,18,19);1H
InChIKeyVCOUPSQVDIOTJI-UHFFFAOYSA-N
MW421.29 g/mol
LogP4.03
Rot. Bonds4

About N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109453551) has the molecular formula C14H27F3IN3 and a molecular weight of 421.29 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109453551
Molecular FormulaC14H27F3IN3
Molecular Weight421.29 g/mol
Exact Mass421.12
IUPAC NameN',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCC(F)(F)F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H26F3N3.HI/c1-12(2)10-20(13(12,3)4)11(18-5)19-9-7-6-8-14(15,16)17;/h6-10H2,1-5H3,(H,18,19);1H
InChIKeyVCOUPSQVDIOTJI-UHFFFAOYSA-N
XLogP4.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 54.03
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'}

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Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide (CID 109453551) is N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCCC(F)(F)F)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is VCOUPSQVDIOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3.HI/c1-12(2)10-20(13(12,3)4)11(18-5)19-9-7-6-8-14(15,16)17;/h6-10H2,1-5H3,(H,18,19);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 421.29 g/mol, XLogP of 4.03, 4 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-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).