N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide

C14H21N3O2 — CID 106136286

IUPACN'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CNCC2CCC(O)C2)c1
InChIInChI=1S/C14H21N3O2/c15-14(17-19)12-3-1-2-10(6-12)8-16-9-11-4-5-13(18)7-11/h1-3,6,11,13,16,18-19H,4-5,7-9H2,(H2,15,17)
InChIKeyKUCPYIGXABXVSN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.03
Rot. Bonds5

About N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide (PubChem CID 106136286) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide
PubChem CID106136286
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CNCC2CCC(O)C2)c1
InChIInChI=1S/C14H21N3O2/c15-14(17-19)12-3-1-2-10(6-12)8-16-9-11-4-5-13(18)7-11/h1-3,6,11,13,16,18-19H,4-5,7-9H2,(H2,15,17)
InChIKeyKUCPYIGXABXVSN-UHFFFAOYSA-N
XLogP1.03
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.03
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

3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzamide
CID 103270759
3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 103699975
3-[[(3-methylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270659
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 103270675
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide
CID 106136351
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629959
N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide
CID 114617394
N'-hydroxy-3-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77056345
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565
3-[(but-3-ynylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77028067

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide (CID 106136286) is N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide is N/C(=N/O)c1cccc(CNCC2CCC(O)C2)c1.
What is the InChIKey of N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is KUCPYIGXABXVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(17-19)12-3-1-2-10(6-12)8-16-9-11-4-5-13(18)7-11/h1-3,6,11,13,16,18-19H,4-5,7-9H2,(H2,15,17).
What are the key properties of N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106136286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).