3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C9H20FN3O2 — CID 81106495

IUPAC3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCCF)CCC(N)=NO
InChIInChI=1S/C9H20FN3O2/c1-15-8-7-13(5-2-4-10)6-3-9(11)12-14/h14H,2-8H2,1H3,(H2,11,12)
InChIKeySNRLDWOPHJTHSU-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.43
Rot. Bonds9

About 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 81106495) has the molecular formula C9H20FN3O2 and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID81106495
Molecular FormulaC9H20FN3O2
Molecular Weight221.28 g/mol
Exact Mass221.15
IUPAC Name3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCCF)CCC(N)=NO
InChIInChI=1S/C9H20FN3O2/c1-15-8-7-13(5-2-4-10)6-3-9(11)12-14/h14H,2-8H2,1H3,(H2,11,12)
InChIKeySNRLDWOPHJTHSU-UHFFFAOYSA-N
XLogP0.43
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 81106495) is 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CCCF)CCC(N)=NO.
What is the InChIKey of 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is SNRLDWOPHJTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN3O2/c1-15-8-7-13(5-2-4-10)6-3-9(11)12-14/h14H,2-8H2,1H3,(H2,11,12).
What are the key properties of 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 221.28 g/mol, XLogP of 0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 81106495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).