N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide

C10H19F2N3 — CID 87954903

IUPACN'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C(F)=C(/F)CCC(C)(C)N
InChIInChI=1S/C10H19F2N3/c1-7(13)15-6-9(12)8(11)4-5-10(2,3)14/h4-6,14H2,1-3H3,(H2,13,15)/b9-8-
InChIKeyPOPOYUHJLHRTLF-HJWRWDBZSA-N
MW219.28 g/mol
LogP2.03
Rot. Bonds5

About N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide

N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide (PubChem CID 87954903) has the molecular formula C10H19F2N3 and a molecular weight of 219.28 g/mol. Its IUPAC name is N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide
PubChem CID87954903
Molecular FormulaC10H19F2N3
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC NameN'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C(F)=C(/F)CCC(C)(C)N
InChIInChI=1S/C10H19F2N3/c1-7(13)15-6-9(12)8(11)4-5-10(2,3)14/h4-6,14H2,1-3H3,(H2,13,15)/b9-8-
InChIKeyPOPOYUHJLHRTLF-HJWRWDBZSA-N
XLogP2.03
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide 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'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 60008710
N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 60008724
N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 87954620
N'-[(Z)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 87954621
N'-[(E)-6-amino-6-methylhept-2-enyl]ethanimidamide
CID 21017911
N'-[(Z)-6-amino-6-methylhept-2-enyl]ethanimidamide
CID 58606443
N'-(6-amino-6-methylhept-2-enyl)ethanimidamide
CID 73733418
N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;hydrochloride
CID 91238353
N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride
CID 91593498

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide?
The IUPAC name of N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide (CID 87954903) is N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide is C/C(N)=N\C/C(F)=C(/F)CCC(C)(C)N.
What is the InChIKey of N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide?
The InChIKey is POPOYUHJLHRTLF-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H19F2N3/c1-7(13)15-6-9(12)8(11)4-5-10(2,3)14/h4-6,14H2,1-3H3,(H2,13,15)/b9-8-.
What are the key properties of N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide?
N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide has a molecular weight of 219.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-6-amino-2,3-difluoro-6-methylhept-2-enyl]ethanimidamide is sourced from PubChem (CID 87954903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).