N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide

C9H19N3O2 — CID 106136283

IUPACN'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide
SMILESNC(CCNCC1CCC(O)C1)=NO
InChIInChI=1S/C9H19N3O2/c10-9(12-14)3-4-11-6-7-1-2-8(13)5-7/h7-8,11,13-14H,1-6H2,(H2,10,12)
InChIKeyOUEWNESCGZOOPH-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.13
Rot. Bonds5

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

N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide (PubChem CID 106136283) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide
PubChem CID106136283
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide
SMILESNC(CCNCC1CCC(O)C1)=NO
InChIInChI=1S/C9H19N3O2/c10-9(12-14)3-4-11-6-7-1-2-8(13)5-7/h7-8,11,13-14H,1-6H2,(H2,10,12)
InChIKeyOUEWNESCGZOOPH-UHFFFAOYSA-N
XLogP-0.13
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide
CID 106136293
N'-hydroxy-3-[[2-(hydroxymethyl)cyclopentyl]methylamino]propanimidamide
CID 77104580
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]propanimidamide
CID 77125148
N'-hydroxy-5-[(2-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77125149
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77125168
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]-2-methylpropanimidamide
CID 77125169
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]butanimidamide
CID 77125170
N'-hydroxy-4-[(2-hydroxycyclopentyl)methylamino]butanimidamide
CID 77125174
N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide
CID 106115541
N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide
CID 106115558
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol
CID 106129369
3-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]cyclopentan-1-ol
CID 106129438

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide (CID 106136283) is N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide is NC(CCNCC1CCC(O)C1)=NO.
What is the InChIKey of N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide?
The InChIKey is OUEWNESCGZOOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(12-14)3-4-11-6-7-1-2-8(13)5-7/h7-8,11,13-14H,1-6H2,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide?
N'-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.13, 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]propanimidamide is sourced from PubChem (CID 106136283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).