N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide

C16H26N2 — CID 155299561

IUPACN'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide
SMILESC/C=C\C(=C/C)C/N=C(\N)C1C=CCC(C)C1C
InChIInChI=1S/C16H26N2/c1-5-8-14(6-2)11-18-16(17)15-10-7-9-12(3)13(15)4/h5-8,10,12-13,15H,9,11H2,1-4H3,(H2,17,18)/b8-5-,14-6+
InChIKeyLBXGUEHEYFTHOL-RJANOSGQSA-N
MW246.40 g/mol
LogP3.71
Rot. Bonds4

About N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide

N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide (PubChem CID 155299561) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide.

Molecular Properties

Compound NameN'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide
PubChem CID155299561
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide
SMILESC/C=C\C(=C/C)C/N=C(\N)C1C=CCC(C)C1C
InChIInChI=1S/C16H26N2/c1-5-8-14(6-2)11-18-16(17)15-10-7-9-12(3)13(15)4/h5-8,10,12-13,15H,9,11H2,1-4H3,(H2,17,18)/b8-5-,14-6+
InChIKeyLBXGUEHEYFTHOL-RJANOSGQSA-N
XLogP3.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide?
The IUPAC name of N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide (CID 155299561) is N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide.
What is the SMILES notation for N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide?
The canonical SMILES for N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide is C/C=C\C(=C/C)C/N=C(\N)C1C=CCC(C)C1C.
What is the InChIKey of N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide?
The InChIKey is LBXGUEHEYFTHOL-RJANOSGQSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-8-14(6-2)11-18-16(17)15-10-7-9-12(3)13(15)4/h5-8,10,12-13,15H,9,11H2,1-4H3,(H2,17,18)/b8-5-,14-6+.
What are the key properties of N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide?
N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide has a molecular weight of 246.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z,2E)-2-ethylidenepent-3-enyl]-5,6-dimethylcyclohex-2-ene-1-carboximidamide is sourced from PubChem (CID 155299561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).