N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide

C13H15Cl2N3 — CID 122095835

IUPACN'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide
SMILESN/C(=N\[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC1
InChIInChI=1S/C13H15Cl2N3/c14-10-3-2-8(6-11(10)15)9-7-12(9)17-13(16)18-4-1-5-18/h2-3,6,9,12H,1,4-5,7H2,(H2,16,17)/t9-,12+/m0/s1
InChIKeyGSTCWRZHKOGRMZ-JOYOIKCWSA-N
MW284.19 g/mol
LogP2.87
Rot. Bonds2

About N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide

N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide (PubChem CID 122095835) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide
PubChem CID122095835
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC NameN'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide
SMILESN/C(=N\[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC1
InChIInChI=1S/C13H15Cl2N3/c14-10-3-2-8(6-11(10)15)9-7-12(9)17-13(16)18-4-1-5-18/h2-3,6,9,12H,1,4-5,7H2,(H2,16,17)/t9-,12+/m0/s1
InChIKeyGSTCWRZHKOGRMZ-JOYOIKCWSA-N
XLogP2.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 52.87
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'}

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Related Compounds

2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine
CID 122082463
N'-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]azepane-1-carboximidamide
CID 120606046
N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120679856
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
CID 111815372
N'-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboximidamide
CID 122097958
N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671238
(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 98760990
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623002
2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 120671359
N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111818826

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide (CID 122095835) is N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide is N/C(=N\[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC1.
What is the InChIKey of N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide?
The InChIKey is GSTCWRZHKOGRMZ-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c14-10-3-2-8(6-11(10)15)9-7-12(9)17-13(16)18-4-1-5-18/h2-3,6,9,12H,1,4-5,7H2,(H2,16,17)/t9-,12+/m0/s1.
What are the key properties of N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide?
N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide has a molecular weight of 284.19 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122095835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).