3-[3-fluoropropyl(methyl)amino]butanimidamide

C8H18FN3 — CID 81106846

IUPAC3-[3-fluoropropyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCCF
InChIInChI=1S/C8H18FN3/c1-7(6-8(10)11)12(2)5-3-4-9/h7H,3-6H2,1-2H3,(H3,10,11)
InChIKeyVIKVCIDRLFTGRY-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.99
Rot. Bonds6

About 3-[3-fluoropropyl(methyl)amino]butanimidamide

3-[3-fluoropropyl(methyl)amino]butanimidamide (PubChem CID 81106846) has the molecular formula C8H18FN3 and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-[3-fluoropropyl(methyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[3-fluoropropyl(methyl)amino]butanimidamide
PubChem CID81106846
Molecular FormulaC8H18FN3
Molecular Weight175.25 g/mol
Exact Mass175.15
IUPAC Name3-[3-fluoropropyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCCF
InChIInChI=1S/C8H18FN3/c1-7(6-8(10)11)12(2)5-3-4-9/h7H,3-6H2,1-2H3,(H3,10,11)
InChIKeyVIKVCIDRLFTGRY-UHFFFAOYSA-N
XLogP0.99
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.99
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'}

Analyze 3-[3-fluoropropyl(methyl)amino]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoropropyl(methyl)amino]butanimidamide?
The IUPAC name of 3-[3-fluoropropyl(methyl)amino]butanimidamide (CID 81106846) is 3-[3-fluoropropyl(methyl)amino]butanimidamide.
What is the SMILES notation for 3-[3-fluoropropyl(methyl)amino]butanimidamide?
The canonical SMILES for 3-[3-fluoropropyl(methyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CCCF.
What is the InChIKey of 3-[3-fluoropropyl(methyl)amino]butanimidamide?
The InChIKey is VIKVCIDRLFTGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3/c1-7(6-8(10)11)12(2)5-3-4-9/h7H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 3-[3-fluoropropyl(methyl)amino]butanimidamide?
3-[3-fluoropropyl(methyl)amino]butanimidamide has a molecular weight of 175.25 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(methyl)amino]butanimidamide is sourced from PubChem (CID 81106846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).