N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide

C9H19FN2 — CID 59192968

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

About N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide

N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide (PubChem CID 59192968) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-(2-fluoroethyl)-4,4-dimethylpentanimidamide
PubChem CID59192968
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC NameN'-(2-fluoroethyl)-4,4-dimethylpentanimidamide
SMILESCC(C)(C)CC/C(N)=N/CCF
InChIInChI=1S/C9H19FN2/c1-9(2,3)5-4-8(11)12-7-6-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeySWCSIOCCSDTYBZ-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': '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'-(2-fluoroethyl)-4,4-dimethylpentanimidamide?
The IUPAC name of N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide (CID 59192968) is N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide.
What is the SMILES notation for N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide?
The canonical SMILES for N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide is CC(C)(C)CC/C(N)=N/CCF.
What is the InChIKey of N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide?
The InChIKey is SWCSIOCCSDTYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(2,3)5-4-8(11)12-7-6-10/h4-7H2,1-3H3,(H2,11,12).
What are the key properties of N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide?
N'-(2-fluoroethyl)-4,4-dimethylpentanimidamide 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'-(2-fluoroethyl)-4,4-dimethylpentanimidamide is sourced from PubChem (CID 59192968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).