N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide

C12H16N2 — CID 63178452

IUPACN'-(2,3-dimethylphenyl)cyclopropanecarboximidamide
SMILESCc1cccc(/N=C(\N)C2CC2)c1C
InChIInChI=1S/C12H16N2/c1-8-4-3-5-11(9(8)2)14-12(13)10-6-7-10/h3-5,10H,6-7H2,1-2H3,(H2,13,14)
InChIKeyBXUBMECOPXRKJK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.70
Rot. Bonds2

About N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide

N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide (PubChem CID 63178452) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)cyclopropanecarboximidamide
PubChem CID63178452
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN'-(2,3-dimethylphenyl)cyclopropanecarboximidamide
SMILESCc1cccc(/N=C(\N)C2CC2)c1C
InChIInChI=1S/C12H16N2/c1-8-4-3-5-11(9(8)2)14-12(13)10-6-7-10/h3-5,10H,6-7H2,1-2H3,(H2,13,14)
InChIKeyBXUBMECOPXRKJK-UHFFFAOYSA-N
XLogP2.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide (CID 63178452) is N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide is Cc1cccc(/N=C(\N)C2CC2)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide?
The InChIKey is BXUBMECOPXRKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-4-3-5-11(9(8)2)14-12(13)10-6-7-10/h3-5,10H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide?
N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide has a molecular weight of 188.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)cyclopropanecarboximidamide is sourced from PubChem (CID 63178452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).