N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide

C11H23N3O2 — CID 106136308

IUPACN'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide
SMILESNC(CCCCNCC1CCC(O)C1)=NO
InChIInChI=1S/C11H23N3O2/c12-11(14-16)3-1-2-6-13-8-9-4-5-10(15)7-9/h9-10,13,15-16H,1-8H2,(H2,12,14)
InChIKeyGDJMZBFHSXOJCN-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.65
Rot. Bonds7

About N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide

N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide (PubChem CID 106136308) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide
PubChem CID106136308
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide
SMILESNC(CCCCNCC1CCC(O)C1)=NO
InChIInChI=1S/C11H23N3O2/c12-11(14-16)3-1-2-6-13-8-9-4-5-10(15)7-9/h9-10,13,15-16H,1-8H2,(H2,12,14)
InChIKeyGDJMZBFHSXOJCN-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.65
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

N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide
CID 106136346
5-(2-cyclopropylethylamino)-N'-hydroxypentanimidamide
CID 77072404
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106136295
5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide
CID 77028264
4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
CID 104876518
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
CID 77032285
N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide
CID 106136396
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
3-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587
N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide
CID 104931982
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide (CID 106136308) is N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide is NC(CCCCNCC1CCC(O)C1)=NO.
What is the InChIKey of N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide?
The InChIKey is GDJMZBFHSXOJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c12-11(14-16)3-1-2-6-13-8-9-4-5-10(15)7-9/h9-10,13,15-16H,1-8H2,(H2,12,14).
What are the key properties of N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide?
N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide is sourced from PubChem (CID 106136308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).