N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide

C9H19FN2 — CID 59463900

IUPACN'-(4,4-dimethylpentyl)-2-fluoroethanimidamide
SMILESCC(C)(C)CCC/N=C(/N)CF
InChIInChI=1S/C9H19FN2/c1-9(2,3)5-4-6-12-8(11)7-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyHDHJKKUHUGSTTI-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.14
Rot. Bonds4

About N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide

N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide (PubChem CID 59463900) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide.

Molecular Properties

Compound NameN'-(4,4-dimethylpentyl)-2-fluoroethanimidamide
PubChem CID59463900
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC NameN'-(4,4-dimethylpentyl)-2-fluoroethanimidamide
SMILESCC(C)(C)CCC/N=C(/N)CF
InChIInChI=1S/C9H19FN2/c1-9(2,3)5-4-6-12-8(11)7-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyHDHJKKUHUGSTTI-UHFFFAOYSA-N
XLogP2.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide?
The IUPAC name of N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide (CID 59463900) is N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide.
What is the SMILES notation for N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide?
The canonical SMILES for N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide is CC(C)(C)CCC/N=C(/N)CF.
What is the InChIKey of N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide?
The InChIKey is HDHJKKUHUGSTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(2,3)5-4-6-12-8(11)7-10/h4-7H2,1-3H3,(H2,11,12).
What are the key properties of N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide?
N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide has a molecular weight of 174.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethylpentyl)-2-fluoroethanimidamide is sourced from PubChem (CID 59463900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).