5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide

C14H18BrN3O — CID 114892588

IUPAC5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1N(CC1CC1)C1CC1
InChIInChI=1S/C14H18BrN3O/c15-10-3-6-13(12(7-10)14(16)17-19)18(11-4-5-11)8-9-1-2-9/h3,6-7,9,11,19H,1-2,4-5,8H2,(H2,16,17)
InChIKeyMUOXJEICDDIZOJ-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.92
Rot. Bonds5

About 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide

5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 114892588) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID114892588
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1N(CC1CC1)C1CC1
InChIInChI=1S/C14H18BrN3O/c15-10-3-6-13(12(7-10)14(16)17-19)18(11-4-5-11)8-9-1-2-9/h3,6-7,9,11,19H,1-2,4-5,8H2,(H2,16,17)
InChIKeyMUOXJEICDDIZOJ-UHFFFAOYSA-N
XLogP2.92
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.92
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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Related Compounds

5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892387
5-bromo-2-[cyclopentyl(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892619
4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77046069
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-bromo-N'-hydroxybenzenecarboximidamide
CID 114892570
5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 114892468
5-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]benzenecarbothioamide
CID 64521354
2-[cyclopropyl(cyclopropylmethyl)amino]-5-methylbenzenecarbothioamide
CID 107929043
5-chloro-2-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944528
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929868
5-bromo-2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892388
2-[cyclopropylmethyl(ethyl)amino]-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 76996444
5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 106929693

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 114892588) is 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(Br)ccc1N(CC1CC1)C1CC1.
What is the InChIKey of 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is MUOXJEICDDIZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-10-3-6-13(12(7-10)14(16)17-19)18(11-4-5-11)8-9-1-2-9/h3,6-7,9,11,19H,1-2,4-5,8H2,(H2,16,17).
What are the key properties of 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 324.22 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114892588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).