N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide

C10H21N3O2 — CID 106136305

IUPACN'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide
SMILESCCC(NCC1CCC(O)C1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-2-9(10(11)13-15)12-6-7-3-4-8(14)5-7/h7-9,12,14-15H,2-6H2,1H3,(H2,11,13)
InChIKeyLXEVQRXRVAZDPA-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.26
Rot. Bonds5

About N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide

N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide (PubChem CID 106136305) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide
PubChem CID106136305
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide
SMILESCCC(NCC1CCC(O)C1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-2-9(10(11)13-15)12-6-7-3-4-8(14)5-7/h7-9,12,14-15H,2-6H2,1H3,(H2,11,13)
InChIKeyLXEVQRXRVAZDPA-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
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-[[(3-hydroxycyclopentyl)methylamino]methyl]propanimidamide
CID 106136293
N'-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]butanimidamide
CID 77104613
N'-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]propanimidamide
CID 77104618
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77125168
N'-hydroxy-3-[(2-hydroxycyclopentyl)methylamino]butanimidamide
CID 77125170
N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]butanimidamide
CID 77125175
N'-hydroxy-2-[(2-hydroxycyclopentyl)methylamino]propanimidamide
CID 77125182
2-[(2-ethyl-4-hydroxybutyl)amino]-N'-hydroxypropanimidamide
CID 80295931
2-[(2-ethyl-4-hydroxybutyl)amino]-N'-hydroxybutanimidamide
CID 80297852
N'-hydroxy-2-[2-(2-hydroxyethyl)pentylamino]butanimidamide
CID 106115557
N'-hydroxy-2-[2-(2-hydroxyethyl)pentylamino]propanimidamide
CID 106115563
3-[(1-Aminopropan-2-ylamino)methyl]cyclopentan-1-ol
CID 106120948

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide (CID 106136305) is N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide is CCC(NCC1CCC(O)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide?
The InChIKey is LXEVQRXRVAZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-9(10(11)13-15)12-6-7-3-4-8(14)5-7/h7-9,12,14-15H,2-6H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide?
N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3-hydroxycyclopentyl)methylamino]butanimidamide is sourced from PubChem (CID 106136305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).