N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C12H24FN3 — CID 109451729

IUPACN-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCCF)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H24FN3/c1-11(2)9-16(12(11,3)4)10(14-5)15-8-6-7-13/h6-9H2,1-5H3,(H,14,15)
InChIKeyZGBHSBTUJNHELU-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.04
Rot. Bonds3

About N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109451729) has the molecular formula C12H24FN3 and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109451729
Molecular FormulaC12H24FN3
Molecular Weight229.34 g/mol
Exact Mass229.20
IUPAC NameN-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCCF)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H24FN3/c1-11(2)9-16(12(11,3)4)10(14-5)15-8-6-7-13/h6-9H2,1-5H3,(H,14,15)
InChIKeyZGBHSBTUJNHELU-UHFFFAOYSA-N
XLogP2.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.04
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109451729) is N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCCCF)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is ZGBHSBTUJNHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN3/c1-11(2)9-16(12(11,3)4)10(14-5)15-8-6-7-13/h6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 229.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109451729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).