2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide

C14H21BrN4O — CID 114883248

IUPAC2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CC1CCCN1c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C14H21BrN4O/c1-18(2)9-10-5-4-8-19(10)12-7-3-6-11(15)13(12)14(16)17-20/h3,6-7,10,20H,4-5,8-9H2,1-2H3,(H2,16,17)
InChIKeyRKWXJFXNSQRTFL-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.07
Rot. Bonds4

About 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide

2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 114883248) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID114883248
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CC1CCCN1c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C14H21BrN4O/c1-18(2)9-10-5-4-8-19(10)12-7-3-6-11(15)13(12)14(16)17-20/h3,6-7,10,20H,4-5,8-9H2,1-2H3,(H2,16,17)
InChIKeyRKWXJFXNSQRTFL-UHFFFAOYSA-N
XLogP2.07
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.07
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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Related Compounds

2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114883345
2-bromo-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 107278710
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 76975800
2-bromo-N'-hydroxy-6-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 114883288
2-bromo-N'-hydroxy-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587055
2-bromo-6-(2-ethylpyrrolidin-1-yl)benzoic acid
CID 114888006
2-[1-(3-bromo-2-carbamoylphenyl)pyrrolidin-2-yl]acetic acid
CID 114880101
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883329
2-bromo-6-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114883357
2-chloro-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 104690008
2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
CID 114883244
3-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136739447

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide (CID 114883248) is 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide is CN(C)CC1CCCN1c1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is RKWXJFXNSQRTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-18(2)9-10-5-4-8-19(10)12-7-3-6-11(15)13(12)14(16)17-20/h3,6-7,10,20H,4-5,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide?
2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 341.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).