N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide

C15H23N3O2 — CID 106361715

IUPACN'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNC1CCCC1CO
InChIInChI=1S/C15H23N3O2/c1-10-7-11(15(16)18-20)5-6-12(10)8-17-14-4-2-3-13(14)9-19/h5-7,13-14,17,19-20H,2-4,8-9H2,1H3,(H2,16,18)
InChIKeyCYWUIBFNORJIQR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.34
Rot. Bonds5

About N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide

N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide (PubChem CID 106361715) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide
PubChem CID106361715
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNC1CCCC1CO
InChIInChI=1S/C15H23N3O2/c1-10-7-11(15(16)18-20)5-6-12(10)8-17-14-4-2-3-13(14)9-19/h5-7,13-14,17,19-20H,2-4,8-9H2,1H3,(H2,16,18)
InChIKeyCYWUIBFNORJIQR-UHFFFAOYSA-N
XLogP1.34
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.34
H-Bond Donors ≤ 54
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

5-fluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]benzenecarboximidamide
CID 77027755
3-fluoro-N'-hydroxy-4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
CID 77028031
5-fluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
CID 77028666
5-fluoro-N'-hydroxy-2-[(1-hydroxybutan-2-ylamino)methyl]benzenecarboximidamide
CID 77029188
3-fluoro-N'-hydroxy-4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide
CID 77032256
5-fluoro-N'-hydroxy-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide
CID 77032702
5-fluoro-N'-hydroxy-2-[[(3-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77055703
5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzenecarboximidamide
CID 77104572
3-fluoro-N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzenecarboximidamide
CID 77104600
5-fluoro-N'-hydroxy-2-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzenecarboximidamide
CID 77112839
5-fluoro-N'-hydroxy-2-[[(2-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide
CID 77125146
3-fluoro-N'-hydroxy-4-[[(2-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide
CID 77125160

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide (CID 106361715) is N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1CNC1CCCC1CO.
What is the InChIKey of N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is CYWUIBFNORJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-7-11(15(16)18-20)5-6-12(10)8-17-14-4-2-3-13(14)9-19/h5-7,13-14,17,19-20H,2-4,8-9H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide?
N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 106361715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).