2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide

C14H20BrN3O — CID 77044474

IUPAC2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
SMILESNC(CN(Cc1cccc(Br)c1)C1CCCC1)=NO
InChIInChI=1S/C14H20BrN3O/c15-12-5-3-4-11(8-12)9-18(10-14(16)17-19)13-6-1-2-7-13/h3-5,8,13,19H,1-2,6-7,9-10H2,(H2,16,17)
InChIKeyNBWOJMYREUFJEH-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.94
Rot. Bonds5

About 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide

2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide (PubChem CID 77044474) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
PubChem CID77044474
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
SMILESNC(CN(Cc1cccc(Br)c1)C1CCCC1)=NO
InChIInChI=1S/C14H20BrN3O/c15-12-5-3-4-11(8-12)9-18(10-14(16)17-19)13-6-1-2-7-13/h3-5,8,13,19H,1-2,6-7,9-10H2,(H2,16,17)
InChIKeyNBWOJMYREUFJEH-UHFFFAOYSA-N
XLogP2.94
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.94
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-[(3-bromo-4-methoxyphenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044469
2-[cyclopentyl-[(4-propan-2-ylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 77044796
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 78995782
2-[(5-bromo-3-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113224901
2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 114346073
2-[1-benzothiophen-3-ylmethyl(cyclopentyl)amino]-N'-hydroxyethanimidamide
CID 77044794
2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
CID 77044633
4-[(3-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61416205
2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 71932836
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
CID 77044484
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide (CID 77044474) is 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide is NC(CN(Cc1cccc(Br)c1)C1CCCC1)=NO.
What is the InChIKey of 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide?
The InChIKey is NBWOJMYREUFJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-12-5-3-4-11(8-12)9-18(10-14(16)17-19)13-6-1-2-7-13/h3-5,8,13,19H,1-2,6-7,9-10H2,(H2,16,17).
What are the key properties of 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide?
2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide has a molecular weight of 326.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77044474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).