2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide

C8H18FN3O — CID 81106491

IUPAC2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CCCF)CC(N)=NO
InChIInChI=1S/C8H18FN3O/c1-2-5-12(6-3-4-9)7-8(10)11-13/h13H,2-7H2,1H3,(H2,10,11)
InChIKeyNOTYORMMFAYSBC-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.80
Rot. Bonds7

About 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide

2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide (PubChem CID 81106491) has the molecular formula C8H18FN3O and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide
PubChem CID81106491
Molecular FormulaC8H18FN3O
Molecular Weight191.25 g/mol
Exact Mass191.14
IUPAC Name2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CCCF)CC(N)=NO
InChIInChI=1S/C8H18FN3O/c1-2-5-12(6-3-4-9)7-8(10)11-13/h13H,2-7H2,1H3,(H2,10,11)
InChIKeyNOTYORMMFAYSBC-UHFFFAOYSA-N
XLogP0.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide (CID 81106491) is 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide is CCCN(CCCF)CC(N)=NO.
What is the InChIKey of 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is NOTYORMMFAYSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3O/c1-2-5-12(6-3-4-9)7-8(10)11-13/h13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide?
2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 191.25 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoropropyl(propyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 81106491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).