N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide

C14H22F2N2 — CID 149063019

IUPACN'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)N/C(C=C(C)C)=N/C1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N2/c1-10(2)9-13(17-11(3)4)18-12-5-7-14(15,16)8-6-12/h9,12H,3,5-8H2,1-2,4H3,(H,17,18)
InChIKeyQMFIZDOUFCUSND-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.05
Rot. Bonds3

About N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide

N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide (PubChem CID 149063019) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide.

Molecular Properties

Compound NameN'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide
PubChem CID149063019
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)N/C(C=C(C)C)=N/C1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N2/c1-10(2)9-13(17-11(3)4)18-12-5-7-14(15,16)8-6-12/h9,12H,3,5-8H2,1-2,4H3,(H,17,18)
InChIKeyQMFIZDOUFCUSND-UHFFFAOYSA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.05
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'}

Analyze N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide?
The IUPAC name of N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide (CID 149063019) is N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide.
What is the SMILES notation for N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide?
The canonical SMILES for N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide is C=C(C)N/C(C=C(C)C)=N/C1CCC(F)(F)CC1.
What is the InChIKey of N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide?
The InChIKey is QMFIZDOUFCUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)9-13(17-11(3)4)18-12-5-7-14(15,16)8-6-12/h9,12H,3,5-8H2,1-2,4H3,(H,17,18).
What are the key properties of N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide?
N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide has a molecular weight of 256.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide is sourced from PubChem (CID 149063019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).