2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide

C14H20FN3O — CID 77004521

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC(C)N(CC1CC1)c1ccc(F)cc1C(N)=NO
InChIInChI=1S/C14H20FN3O/c1-9(2)18(8-10-3-4-10)13-6-5-11(15)7-12(13)14(16)17-19/h5-7,9-10,19H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyJOEJHJRRZKLFOS-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.55
Rot. Bonds5

About 2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77004521) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77004521
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC(C)N(CC1CC1)c1ccc(F)cc1C(N)=NO
InChIInChI=1S/C14H20FN3O/c1-9(2)18(8-10-3-4-10)13-6-5-11(15)7-12(13)14(16)17-19/h5-7,9-10,19H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyJOEJHJRRZKLFOS-UHFFFAOYSA-N
XLogP2.55
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.55
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-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77004521) is 2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide is CC(C)N(CC1CC1)c1ccc(F)cc1C(N)=NO.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is JOEJHJRRZKLFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9(2)18(8-10-3-4-10)13-6-5-11(15)7-12(13)14(16)17-19/h5-7,9-10,19H,3-4,8H2,1-2H3,(H2,16,17).
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77004521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).