1,2-dimethylcyclopropane-1-carboximidamide

C6H12N2 — CID 83826163

IUPAC1,2-dimethylcyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(C)CC1C
InChIInChI=1S/C6H12N2/c1-4-3-6(4,2)5(7)8/h4H,3H2,1-2H3,(H3,7,8)
InChIKeyZQENCTIOUKOKEI-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.97
Rot. Bonds1

About 1,2-dimethylcyclopropane-1-carboximidamide

1,2-dimethylcyclopropane-1-carboximidamide (PubChem CID 83826163) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,2-dimethylcyclopropane-1-carboximidamide.

Molecular Properties

Compound Name1,2-dimethylcyclopropane-1-carboximidamide
PubChem CID83826163
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,2-dimethylcyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(C)CC1C
InChIInChI=1S/C6H12N2/c1-4-3-6(4,2)5(7)8/h4H,3H2,1-2H3,(H3,7,8)
InChIKeyZQENCTIOUKOKEI-UHFFFAOYSA-N
XLogP0.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
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 1,2-dimethylcyclopropane-1-carboximidamide?
The IUPAC name of 1,2-dimethylcyclopropane-1-carboximidamide (CID 83826163) is 1,2-dimethylcyclopropane-1-carboximidamide.
What is the SMILES notation for 1,2-dimethylcyclopropane-1-carboximidamide?
The canonical SMILES for 1,2-dimethylcyclopropane-1-carboximidamide is [H]/N=C(\N)C1(C)CC1C.
What is the InChIKey of 1,2-dimethylcyclopropane-1-carboximidamide?
The InChIKey is ZQENCTIOUKOKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-3-6(4,2)5(7)8/h4H,3H2,1-2H3,(H3,7,8).
What are the key properties of 1,2-dimethylcyclopropane-1-carboximidamide?
1,2-dimethylcyclopropane-1-carboximidamide has a molecular weight of 112.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclopropane-1-carboximidamide is sourced from PubChem (CID 83826163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).