2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide

C14H20BrN3O2 — CID 107278620

IUPAC2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC1CCCO1)c1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-2-18(9-11-4-3-7-20-11)10-5-6-12(13(15)8-10)14(16)17-19/h5-6,8,11,19H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyLWNUILHKZMYXRZ-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.55
Rot. Bonds5

About 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide

2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 107278620) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID107278620
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC1CCCO1)c1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-2-18(9-11-4-3-7-20-11)10-5-6-12(13(15)8-10)14(16)17-19/h5-6,8,11,19H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyLWNUILHKZMYXRZ-UHFFFAOYSA-N
XLogP2.55
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.55
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

4-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbenzenecarbothioamide
CID 81276787
2-bromo-N'-hydroxy-4-(oxolan-2-ylmethylsulfanyl)benzenecarboximidamide
CID 107279902
2-bromo-4-[methyl(oxan-2-ylmethyl)amino]benzenecarbothioamide
CID 107277466
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76904065
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906523
1-N-ethyl-3-N-fluoro-4-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 57108655
4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide
CID 107278596
4-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]benzoic acid
CID 61434621
4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435563
2-bromo-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 107278810
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904078
4-[ethyl(oxolan-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286006

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 107278620) is 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide is CCN(CC1CCCO1)c1ccc(/C(N)=N/O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LWNUILHKZMYXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-2-18(9-11-4-3-7-20-11)10-5-6-12(13(15)8-10)14(16)17-19/h5-6,8,11,19H,2-4,7,9H2,1H3,(H2,16,17).
What are the key properties of 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 342.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107278620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).