N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide

C10H15F3N2 — CID 146203764

IUPACN'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide
SMILESC/C=C(\C=C(/N=C/N)C(C)C)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-4-8(10(11,12)13)5-9(7(2)3)15-6-14/h4-7H,1-3H3,(H2,14,15)/b8-4+,9-5-
InChIKeyLXZJENMGWUSXQH-HXGSSHHBSA-N
MW220.24 g/mol
LogP3.02
Rot. Bonds3

About N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide

N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide (PubChem CID 146203764) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide
PubChem CID146203764
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC NameN'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide
SMILESC/C=C(\C=C(/N=C/N)C(C)C)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-4-8(10(11,12)13)5-9(7(2)3)15-6-14/h4-7H,1-3H3,(H2,14,15)/b8-4+,9-5-
InChIKeyLXZJENMGWUSXQH-HXGSSHHBSA-N
XLogP3.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.02
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': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide 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

N'-[(3Z)-5-chloro-2-fluoro-2-methylhexa-3,5-dien-3-yl]methanimidamide
CID 88056784
(1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine
CID 118970504
N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-2,2,2-trifluoro-N-methylideneethanimidamide
CID 143579831
N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide
CID 154964899
N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide
CID 163657041
N'-[(3Z,5Z)-8,8-difluoroocta-1,3,5-trien-3-yl]methanimidamide
CID 164558249
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
N'-[(3Z)-5-methylhexa-1,3-dien-2-yl]methanimidamide
CID 124029099
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide
CID 126717103
N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide
CID 130369590
N'-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]methanimidamide;ethane;methane
CID 143256335
N'-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]methanimidamide;ethane
CID 143256475

Frequently Asked Questions

What is the IUPAC name of N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide?
The IUPAC name of N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide (CID 146203764) is N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide?
The canonical SMILES for N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide is C/C=C(\C=C(/N=C/N)C(C)C)C(F)(F)F.
What is the InChIKey of N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide?
The InChIKey is LXZJENMGWUSXQH-HXGSSHHBSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-4-8(10(11,12)13)5-9(7(2)3)15-6-14/h4-7H,1-3H3,(H2,14,15)/b8-4+,9-5-.
What are the key properties of N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide?
N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide has a molecular weight of 220.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide is sourced from PubChem (CID 146203764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).