2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide

C14H21FN4O — CID 81465371

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(c2cccc(F)c2/C(N)=N/O)CC1N(C)C
InChIInChI=1S/C14H21FN4O/c1-9-7-19(8-12(9)18(2)3)11-6-4-5-10(15)13(11)14(16)17-20/h4-6,9,12,20H,7-8H2,1-3H3,(H2,16,17)
InChIKeyQASZULQSRKSEOM-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.31
Rot. Bonds3

About 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 81465371) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID81465371
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(c2cccc(F)c2/C(N)=N/O)CC1N(C)C
InChIInChI=1S/C14H21FN4O/c1-9-7-19(8-12(9)18(2)3)11-6-4-5-10(15)13(11)14(16)17-20/h4-6,9,12,20H,7-8H2,1-3H3,(H2,16,17)
InChIKeyQASZULQSRKSEOM-UHFFFAOYSA-N
XLogP1.31
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.31
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 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 81465371) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide is CC1CN(c2cccc(F)c2/C(N)=N/O)CC1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is QASZULQSRKSEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-9-7-19(8-12(9)18(2)3)11-6-4-5-10(15)13(11)14(16)17-20/h4-6,9,12,20H,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 280.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81465371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).