N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide

C11H25N3O2 — CID 106115558

IUPACN'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide
SMILESCCCC(CCO)CNCC(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-4-10(5-6-15)8-13-7-9(2)11(12)14-16/h9-10,13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyZCQIJAOOPXIKLO-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.76
Rot. Bonds9

About N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide

N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide (PubChem CID 106115558) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide
PubChem CID106115558
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide
SMILESCCCC(CCO)CNCC(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-4-10(5-6-15)8-13-7-9(2)11(12)14-16/h9-10,13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyZCQIJAOOPXIKLO-UHFFFAOYSA-N
XLogP0.76
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.76
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

2-[[(2-ethyl-4-hydroxybutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370000
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanimidamide
CID 106115548
3,3,3-trifluoro-N'-hydroxy-2-[(6-hydroxyhexylamino)methyl]propanimidamide
CID 107853250
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]propanimidamide
CID 77027612
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanimidamide
CID 77027613
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
CID 77027818
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]pentanimidamide
CID 77028240
N'-hydroxy-3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanimidamide
CID 77028873
N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanimidamide
CID 77031962
N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide
CID 77031963
N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]butanimidamide
CID 77031964
N'-hydroxy-5-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide
CID 77032106

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide (CID 106115558) is N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide is CCCC(CCO)CNCC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide?
The InChIKey is ZCQIJAOOPXIKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-4-10(5-6-15)8-13-7-9(2)11(12)14-16/h9-10,13,15-16H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide?
N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.76, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]-2-methylpropanimidamide is sourced from PubChem (CID 106115558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).