N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide

C11H23N3O2 — CID 77125168

IUPACN'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCC1CCCC1O
InChIInChI=1S/C11H23N3O2/c1-2-9(6-11(12)14-16)13-7-8-4-3-5-10(8)15/h8-10,13,15-16H,2-7H2,1H3,(H2,12,14)
InChIKeyATELGXYFOATSFJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.65
Rot. Bonds6

About N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide

N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide (PubChem CID 77125168) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide
PubChem CID77125168
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCC1CCCC1O
InChIInChI=1S/C11H23N3O2/c1-2-9(6-11(12)14-16)13-7-8-4-3-5-10(8)15/h8-10,13,15-16H,2-7H2,1H3,(H2,12,14)
InChIKeyATELGXYFOATSFJ-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.65
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

3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycyclopentyl)methylamino]methyl]propanimidamide
CID 103369936
3,3,3-trifluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]propanimidamide
CID 114178765
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]propanimidamide
CID 77027612
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanimidamide
CID 77027613
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
CID 77027818
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]pentanimidamide
CID 77028240
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide
CID 77050193
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]pentanimidamide
CID 77050225
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide
CID 77050226
N'-hydroxy-3-[[2-(hydroxymethyl)cyclopentyl]methylamino]pentanimidamide
CID 77104605
N'-hydroxy-3-[[2-(hydroxymethyl)cyclopentyl]methylamino]butanimidamide
CID 77104607
N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]ethanimidamide
CID 77125142

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide (CID 77125168) is N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide is CCC(CC(N)=NO)NCC1CCCC1O.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide?
The InChIKey is ATELGXYFOATSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-9(6-11(12)14-16)13-7-8-4-3-5-10(8)15/h8-10,13,15-16H,2-7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide?
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide is sourced from PubChem (CID 77125168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).