N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide

C9H20FN3 — CID 139908615

IUPACN'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide
SMILESCC(N)CCC(C)C/N=C(/N)CF
InChIInChI=1S/C9H20FN3/c1-7(3-4-8(2)11)6-13-9(12)5-10/h7-8H,3-6,11H2,1-2H3,(H2,12,13)
InChIKeyJUFLLJDYBODLDS-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.08
Rot. Bonds6

About N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide

N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide (PubChem CID 139908615) has the molecular formula C9H20FN3 and a molecular weight of 189.28 g/mol. Its IUPAC name is N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide.

Molecular Properties

Compound NameN'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide
PubChem CID139908615
Molecular FormulaC9H20FN3
Molecular Weight189.28 g/mol
Exact Mass189.16
IUPAC NameN'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide
SMILESCC(N)CCC(C)C/N=C(/N)CF
InChIInChI=1S/C9H20FN3/c1-7(3-4-8(2)11)6-13-9(12)5-10/h7-8H,3-6,11H2,1-2H3,(H2,12,13)
InChIKeyJUFLLJDYBODLDS-UHFFFAOYSA-N
XLogP1.08
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.08
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide?
The IUPAC name of N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide (CID 139908615) is N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide.
What is the SMILES notation for N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide?
The canonical SMILES for N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide is CC(N)CCC(C)C/N=C(/N)CF.
What is the InChIKey of N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide?
The InChIKey is JUFLLJDYBODLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN3/c1-7(3-4-8(2)11)6-13-9(12)5-10/h7-8H,3-6,11H2,1-2H3,(H2,12,13).
What are the key properties of N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide?
N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide has a molecular weight of 189.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide is sourced from PubChem (CID 139908615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).