(Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide

C11H20F2N2 — CID 169247287

IUPAC(Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide
SMILESCCC/C(=C/C(N)=N/CC(F)F)C(C)C
InChIInChI=1S/C11H20F2N2/c1-4-5-9(8(2)3)6-11(14)15-7-10(12)13/h6,8,10H,4-5,7H2,1-3H3,(H2,14,15)/b9-6-
InChIKeyAIYWGWVYPLPTGT-TWGQIWQCSA-N
MW218.29 g/mol
LogP2.99
Rot. Bonds6

About (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide

(Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide (PubChem CID 169247287) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide
PubChem CID169247287
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name(Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide
SMILESCCC/C(=C/C(N)=N/CC(F)F)C(C)C
InChIInChI=1S/C11H20F2N2/c1-4-5-9(8(2)3)6-11(14)15-7-10(12)13/h6,8,10H,4-5,7H2,1-3H3,(H2,14,15)/b9-6-
InChIKeyAIYWGWVYPLPTGT-TWGQIWQCSA-N
XLogP2.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.99
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 (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-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

Related Compounds

(6E)-3-methyl-8-(2-methylpentan-3-ylimino)-7-(trifluoromethyl)-4,5-dihydro-3H-azocin-2-amine
CID 123333823
(E)-3-(3,3-difluorocyclobutyl)-N'-methylbut-2-enimidamide
CID 166867023
2,4-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 176690486
2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine
CID 145440975
(E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide
CID 169247325
N'-[(E)-2,6-dimethylhept-2-enyl]ethanimidamide
CID 59072729
N'-[(Z)-2,6-dimethylhept-2-enyl]ethanimidamide
CID 59072790
N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide
CID 90740526
(E)-3-ethyl-N',5-dimethylhex-2-enimidamide
CID 142528584
N'-[(Z)-6-methylhept-2-enyl]ethanimidamide
CID 142866846
(6Z)-5,6-dimethyl-2,3,4,5-tetrahydroazocin-8-amine
CID 144106096

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide?
The IUPAC name of (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide (CID 169247287) is (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide.
What is the SMILES notation for (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide?
The canonical SMILES for (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide is CCC/C(=C/C(N)=N/CC(F)F)C(C)C.
What is the InChIKey of (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide?
The InChIKey is AIYWGWVYPLPTGT-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-4-5-9(8(2)3)6-11(14)15-7-10(12)13/h6,8,10H,4-5,7H2,1-3H3,(H2,14,15)/b9-6-.
What are the key properties of (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide?
(Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide has a molecular weight of 218.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide is sourced from PubChem (CID 169247287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).