N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide

C9H19N3O2 — CID 104873915

IUPACN'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide
SMILESNC(CCCNC1(CO)CCC1)=NO
InChIInChI=1S/C9H19N3O2/c10-8(12-14)3-1-6-11-9(7-13)4-2-5-9/h11,13-14H,1-7H2,(H2,10,12)
InChIKeyJJGOLYGYULUVKW-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.02
Rot. Bonds6

About N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide

N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide (PubChem CID 104873915) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide
PubChem CID104873915
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide
SMILESNC(CCCNC1(CO)CCC1)=NO
InChIInChI=1S/C9H19N3O2/c10-8(12-14)3-1-6-11-9(7-13)4-2-5-9/h11,13-14H,1-7H2,(H2,10,12)
InChIKeyJJGOLYGYULUVKW-UHFFFAOYSA-N
XLogP0.02
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.02
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-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide
CID 103370209
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]propanimidamide
CID 77027815
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]-2-methylpropanimidamide
CID 77027816
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77027817
N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028028
N'-hydroxy-5-[[1-(hydroxymethyl)cyclopentyl]amino]pentanimidamide
CID 77028029
N'-hydroxy-2-[3-(hydroxymethyl)pentan-3-ylamino]ethanimidamide
CID 77028237
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028447
N'-hydroxy-2-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77028661
N'-hydroxy-4-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77028663
N'-hydroxy-4-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
CID 77028665
N'-hydroxy-2-[3-(hydroxymethyl)pentan-3-ylamino]propanimidamide
CID 77028871

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide (CID 104873915) is N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide is NC(CCCNC1(CO)CCC1)=NO.
What is the InChIKey of N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide?
The InChIKey is JJGOLYGYULUVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-8(12-14)3-1-6-11-9(7-13)4-2-5-9/h11,13-14H,1-7H2,(H2,10,12).
What are the key properties of N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide?
N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide is sourced from PubChem (CID 104873915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).