N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide

C9H19N3O2 — CID 77125182

IUPACN'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide
SMILESCC(NCC1CCCC1O)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-6(9(10)12-14)11-5-7-3-2-4-8(7)13/h6-8,11,13-14H,2-5H2,1H3,(H2,10,12)
InChIKeyPCBJNHOBTPTXOZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.13
Rot. Bonds4

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

N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide (PubChem CID 77125182) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide
PubChem CID77125182
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide
SMILESCC(NCC1CCCC1O)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-6(9(10)12-14)11-5-7-3-2-4-8(7)13/h6-8,11,13-14H,2-5H2,1H3,(H2,10,12)
InChIKeyPCBJNHOBTPTXOZ-UHFFFAOYSA-N
XLogP-0.13
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.13
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
N'-hydroxy-2-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
CID 77028451
N'-hydroxy-2-[[1-(hydroxymethyl)cyclopentyl]amino]propanimidamide
CID 77028874
N'-hydroxy-2-[(2-hydroxycyclohexyl)methylamino]propanimidamide
CID 77050220
N'-hydroxy-2-[(2-hydroxycyclohexyl)methylamino]butanimidamide
CID 77050241
N'-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]butanimidamide
CID 77104613
N'-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]propanimidamide
CID 77104618
N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]ethanimidamide
CID 77125142
N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]-2,2-dimethylbutanimidamide
CID 77125147
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]propanimidamide
CID 77125148
N'-hydroxy-5-[(2-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77125149
N'-hydroxy-2-[1-[[(2-hydroxycyclopentyl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 77125159

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide (CID 77125182) is N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide is CC(NCC1CCCC1O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide?
The InChIKey is PCBJNHOBTPTXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(9(10)12-14)11-5-7-3-2-4-8(7)13/h6-8,11,13-14H,2-5H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide?
N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide is sourced from PubChem (CID 77125182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).