N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide

C10H21N3O2 — CID 104873923

IUPACN'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide
SMILESNC(CCCCNC1(CO)CCC1)=NO
InChIInChI=1S/C10H21N3O2/c11-9(13-15)4-1-2-7-12-10(8-14)5-3-6-10/h12,14-15H,1-8H2,(H2,11,13)
InChIKeyKNJZHCNMEDNCHB-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.41
Rot. Bonds7

About N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide

N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide (PubChem CID 104873923) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide
PubChem CID104873923
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide
SMILESNC(CCCCNC1(CO)CCC1)=NO
InChIInChI=1S/C10H21N3O2/c11-9(13-15)4-1-2-7-12-10(8-14)5-3-6-10/h12,14-15H,1-8H2,(H2,11,13)
InChIKeyKNJZHCNMEDNCHB-UHFFFAOYSA-N
XLogP0.41
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.41
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-[[1-(hydroxymethyl)cyclopentyl]amino]propanimidamide
CID 77027612
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-3-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028447
N'-hydroxy-5-(1-hydroxybutan-2-ylamino)pentanimidamide
CID 77028592
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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide (CID 104873923) is N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide is NC(CCCCNC1(CO)CCC1)=NO.
What is the InChIKey of N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide?
The InChIKey is KNJZHCNMEDNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-9(13-15)4-1-2-7-12-10(8-14)5-3-6-10/h12,14-15H,1-8H2,(H2,11,13).
What are the key properties of N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide?
N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide is sourced from PubChem (CID 104873923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).