N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide

C10H17FN2 — CID 156837733

IUPACN-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(C)(F)/C=C\CC(C)C
InChIInChI=1S/C10H17FN2/c1-9(2)5-4-6-10(3,11)7-13-8-12/h4,6-9,12H,5H2,1-3H3/b6-4-,12-8+,13-7+
InChIKeyXUYCNYFKNKHSDY-GLQDVVHASA-N
MW184.26 g/mol
LogP2.99
Rot. Bonds5

About N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide

N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide (PubChem CID 156837733) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide
PubChem CID156837733
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC NameN-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(C)(F)/C=C\CC(C)C
InChIInChI=1S/C10H17FN2/c1-9(2)5-4-6-10(3,11)7-13-8-12/h4,6-9,12H,5H2,1-3H3/b6-4-,12-8+,13-7+
InChIKeyXUYCNYFKNKHSDY-GLQDVVHASA-N
XLogP2.99
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide?
The IUPAC name of N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide (CID 156837733) is N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide.
What is the SMILES notation for N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide?
The canonical SMILES for N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide is [H]/N=C/N=C/C(C)(F)/C=C\CC(C)C.
What is the InChIKey of N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide?
The InChIKey is XUYCNYFKNKHSDY-GLQDVVHASA-N. The full InChI is InChI=1S/C10H17FN2/c1-9(2)5-4-6-10(3,11)7-13-8-12/h4,6-9,12H,5H2,1-3H3/b6-4-,12-8+,13-7+.
What are the key properties of N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide?
N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide has a molecular weight of 184.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-fluoro-2,6-dimethylhept-3-enylidene]methanimidamide is sourced from PubChem (CID 156837733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).