N'-(4-aminobutyl)-2-fluoroethanimidamide

C6H14FN3 — CID 55284003

IUPACN'-(4-aminobutyl)-2-fluoroethanimidamide
SMILESNCCCC/N=C(/N)CF
InChIInChI=1S/C6H14FN3/c7-5-6(9)10-4-2-1-3-8/h1-5,8H2,(H2,9,10)
InChIKeyMYBHGANDAWHNPF-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.05
Rot. Bonds5

About N'-(4-aminobutyl)-2-fluoroethanimidamide

N'-(4-aminobutyl)-2-fluoroethanimidamide (PubChem CID 55284003) has the molecular formula C6H14FN3 and a molecular weight of 147.20 g/mol. Its IUPAC name is N'-(4-aminobutyl)-2-fluoroethanimidamide.

Molecular Properties

Compound NameN'-(4-aminobutyl)-2-fluoroethanimidamide
PubChem CID55284003
Molecular FormulaC6H14FN3
Molecular Weight147.20 g/mol
Exact Mass147.12
IUPAC NameN'-(4-aminobutyl)-2-fluoroethanimidamide
SMILESNCCCC/N=C(/N)CF
InChIInChI=1S/C6H14FN3/c7-5-6(9)10-4-2-1-3-8/h1-5,8H2,(H2,9,10)
InChIKeyMYBHGANDAWHNPF-UHFFFAOYSA-N
XLogP0.05
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-aminobutyl)-2-fluoroethanimidamide?
The IUPAC name of N'-(4-aminobutyl)-2-fluoroethanimidamide (CID 55284003) is N'-(4-aminobutyl)-2-fluoroethanimidamide.
What is the SMILES notation for N'-(4-aminobutyl)-2-fluoroethanimidamide?
The canonical SMILES for N'-(4-aminobutyl)-2-fluoroethanimidamide is NCCCC/N=C(/N)CF.
What is the InChIKey of N'-(4-aminobutyl)-2-fluoroethanimidamide?
The InChIKey is MYBHGANDAWHNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3/c7-5-6(9)10-4-2-1-3-8/h1-5,8H2,(H2,9,10).
What are the key properties of N'-(4-aminobutyl)-2-fluoroethanimidamide?
N'-(4-aminobutyl)-2-fluoroethanimidamide has a molecular weight of 147.20 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobutyl)-2-fluoroethanimidamide is sourced from PubChem (CID 55284003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).