N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide

C11H20F2IN3 — CID 120514505

IUPACN'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CC(F)(F)C1)N1CCCCCC1
InChIInChI=1S/C11H19F2N3.HI/c12-11(13)7-9(8-11)15-10(14)16-5-3-1-2-4-6-16;/h9H,1-8H2,(H2,14,15);1H
InChIKeyDVGZEKVPTQHFNL-UHFFFAOYSA-N
MW359.20 g/mol
LogP2.59
Rot. Bonds1

About N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide

N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide (PubChem CID 120514505) has the molecular formula C11H20F2IN3 and a molecular weight of 359.20 g/mol. Its IUPAC name is N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide
PubChem CID120514505
Molecular FormulaC11H20F2IN3
Molecular Weight359.20 g/mol
Exact Mass359.07
IUPAC NameN'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CC(F)(F)C1)N1CCCCCC1
InChIInChI=1S/C11H19F2N3.HI/c12-11(13)7-9(8-11)15-10(14)16-5-3-1-2-4-6-16;/h9H,1-8H2,(H2,14,15);1H
InChIKeyDVGZEKVPTQHFNL-UHFFFAOYSA-N
XLogP2.59
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 52.59
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'}

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Related Compounds

N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide
CID 130690545
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide
CID 120655351
N'-cyclohexyl-4-cyclopentylpiperazine-1-carboximidamide
CID 62369969
N'-methylazocane-1-carboximidamide
CID 62359325
N'-[(2,2-difluorocyclopentyl)methyl]azepane-1-carboximidamide
CID 122097721
4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide
CID 62363188
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-cyclohexyl-4-(cyclopropylmethyl)piperazine-1-carboximidamide
CID 62362288
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
CID 111815372
N'-cyclohexyl-3-ethylpiperidine-1-carboximidamide
CID 62362939
N',4-dicyclopropylpiperazine-1-carboximidamide
CID 62363225

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide (CID 120514505) is N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide is I.N/C(=N\C1CC(F)(F)C1)N1CCCCCC1.
What is the InChIKey of N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide?
The InChIKey is DVGZEKVPTQHFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3.HI/c12-11(13)7-9(8-11)15-10(14)16-5-3-1-2-4-6-16;/h9H,1-8H2,(H2,14,15);1H.
What are the key properties of N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide?
N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide has a molecular weight of 359.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide is sourced from PubChem (CID 120514505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).