2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide

C15H22BrN3O — CID 114883345

IUPAC2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCCN1c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C15H22BrN3O/c1-2-11-7-4-3-5-10-19(11)13-9-6-8-12(16)14(13)15(17)18-20/h6,8-9,11,20H,2-5,7,10H2,1H3,(H2,17,18)
InChIKeyYYMFMDHGUJHOHX-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.70
Rot. Bonds3

About 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide

2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 114883345) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID114883345
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCCN1c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C15H22BrN3O/c1-2-11-7-4-3-5-10-19(11)13-9-6-8-12(16)14(13)15(17)18-20/h6,8-9,11,20H,2-5,7,10H2,1H3,(H2,17,18)
InChIKeyYYMFMDHGUJHOHX-UHFFFAOYSA-N
XLogP3.70
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.70
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

2-chloro-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 104690008
2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 114883248
2-bromo-6-(2-ethylpyrrolidin-1-yl)benzoic acid
CID 114888006
2-chloro-N'-hydroxy-6-[2-(hydroxymethyl)azepan-1-yl]benzenecarboximidamide
CID 116634940
2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 107278551
2-chloro-N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 76945268
2-bromo-6-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 114883654
2-bromo-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 114881895
2-bromo-N'-hydroxy-6-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 114883288
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-(2-ethylazepan-1-yl)-6-fluoroaniline
CID 104688888

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide (CID 114883345) is 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide is CCC1CCCCCN1c1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is YYMFMDHGUJHOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-11-7-4-3-5-10-19(11)13-9-6-8-12(16)14(13)15(17)18-20/h6,8-9,11,20H,2-5,7,10H2,1H3,(H2,17,18).
What are the key properties of 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide?
2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 340.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).