N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide

C10H21N3O2 — CID 77027818

IUPACN'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
SMILESCC(CC(N)=NO)NC1(CO)CCCC1
InChIInChI=1S/C10H21N3O2/c1-8(6-9(11)13-15)12-10(7-14)4-2-3-5-10/h8,12,14-15H,2-7H2,1H3,(H2,11,13)
InChIKeyGOUBHPHWALHRFU-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.41
Rot. Bonds5

About N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide

N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide (PubChem CID 77027818) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
PubChem CID77027818
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
SMILESCC(CC(N)=NO)NC1(CO)CCCC1
InChIInChI=1S/C10H21N3O2/c1-8(6-9(11)13-15)12-10(7-14)4-2-3-5-10/h8,12,14-15H,2-7H2,1H3,(H2,11,13)
InChIKeyGOUBHPHWALHRFU-UHFFFAOYSA-N
XLogP0.41
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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': '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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide (CID 77027818) is N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide is CC(CC(N)=NO)NC1(CO)CCCC1.
What is the InChIKey of N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide?
The InChIKey is GOUBHPHWALHRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(6-9(11)13-15)12-10(7-14)4-2-3-5-10/h8,12,14-15H,2-7H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide?
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide is sourced from PubChem (CID 77027818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).