N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide

C10H18F2IN3O — CID 120662401

IUPACN'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(C(F)F)CC1)N1CCOCC1
InChIInChI=1S/C10H17F2N3O.HI/c11-8(12)10(1-2-10)7-14-9(13)15-3-5-16-6-4-15;/h8H,1-7H2,(H2,13,14);1H
InChIKeyAPMRTXZOYYESLM-UHFFFAOYSA-N
MW361.17 g/mol
LogP1.30
Rot. Bonds3

About N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120662401) has the molecular formula C10H18F2IN3O and a molecular weight of 361.17 g/mol. Its IUPAC name is N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120662401
Molecular FormulaC10H18F2IN3O
Molecular Weight361.17 g/mol
Exact Mass361.05
IUPAC NameN'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(C(F)F)CC1)N1CCOCC1
InChIInChI=1S/C10H17F2N3O.HI/c11-8(12)10(1-2-10)7-14-9(13)15-3-5-16-6-4-15;/h8H,1-7H2,(H2,13,14);1H
InChIKeyAPMRTXZOYYESLM-UHFFFAOYSA-N
XLogP1.30
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120558150
N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
CID 119120839
N'-[[1-(difluoromethyl)cyclopropyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120662409
4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120662414
N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111600999
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide
CID 120663315
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
CID 120762517
N'-[[1-(4-bromophenyl)cyclobutyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077358

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 120662401) is N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1(C(F)F)CC1)N1CCOCC1.
What is the InChIKey of N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is APMRTXZOYYESLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O.HI/c11-8(12)10(1-2-10)7-14-9(13)15-3-5-16-6-4-15;/h8H,1-7H2,(H2,13,14);1H.
What are the key properties of N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 361.17 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120662401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).