4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide

C11H18N2 — CID 129060246

IUPAC4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide
SMILESC/C=C\N=C(/N)C1=CCC(C)CC1
InChIInChI=1S/C11H18N2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h3,6,8-9H,4-5,7H2,1-2H3,(H2,12,13)/b8-3-
InChIKeyXJXCWJJPUVICPU-BAQGIRSFSA-N
MW178.28 g/mol
LogP2.62
Rot. Bonds2

About 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide

4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide (PubChem CID 129060246) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide
PubChem CID129060246
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide
SMILESC/C=C\N=C(/N)C1=CCC(C)CC1
InChIInChI=1S/C11H18N2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h3,6,8-9H,4-5,7H2,1-2H3,(H2,12,13)/b8-3-
InChIKeyXJXCWJJPUVICPU-BAQGIRSFSA-N
XLogP2.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.62
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 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide (CID 129060246) is 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide is C/C=C\N=C(/N)C1=CCC(C)CC1.
What is the InChIKey of 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide?
The InChIKey is XJXCWJJPUVICPU-BAQGIRSFSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h3,6,8-9H,4-5,7H2,1-2H3,(H2,12,13)/b8-3-.
What are the key properties of 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide?
4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide has a molecular weight of 178.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide is sourced from PubChem (CID 129060246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).