(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride

C8H15FN2 — CID 156898578

IUPAC(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride
SMILESC/N=C(F)/C(=C\N)CC(C)C
InChIInChI=1S/C8H15FN2/c1-6(2)4-7(5-10)8(9)11-3/h5-6H,4,10H2,1-3H3/b7-5-,11-8-
InChIKeyXEAUQVWENLPQJC-HRTWQDJISA-N
MW158.22 g/mol
LogP1.87
Rot. Bonds3

About (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride

(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride (PubChem CID 156898578) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride.

Molecular Properties

Compound Name(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride
PubChem CID156898578
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride
SMILESC/N=C(F)/C(=C\N)CC(C)C
InChIInChI=1S/C8H15FN2/c1-6(2)4-7(5-10)8(9)11-3/h5-6H,4,10H2,1-3H3/b7-5-,11-8-
InChIKeyXEAUQVWENLPQJC-HRTWQDJISA-N
XLogP1.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride?
The IUPAC name of (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride (CID 156898578) is (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride.
What is the SMILES notation for (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride?
The canonical SMILES for (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride is C/N=C(F)/C(=C\N)CC(C)C.
What is the InChIKey of (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride?
The InChIKey is XEAUQVWENLPQJC-HRTWQDJISA-N. The full InChI is InChI=1S/C8H15FN2/c1-6(2)4-7(5-10)8(9)11-3/h5-6H,4,10H2,1-3H3/b7-5-,11-8-.
What are the key properties of (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride?
(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride has a molecular weight of 158.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride is sourced from PubChem (CID 156898578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).