N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide

C10H19N5O — CID 77031327

IUPACN'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide
SMILESCCC(NCCc1nccn1C)C(N)=NO
InChIInChI=1S/C10H19N5O/c1-3-8(10(11)14-16)12-5-4-9-13-6-7-15(9)2/h6-8,12,16H,3-5H2,1-2H3,(H2,11,14)
InChIKeyPCRWJMNMMCEUEU-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.08
Rot. Bonds6

About N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide

N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide (PubChem CID 77031327) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide
PubChem CID77031327
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide
SMILESCCC(NCCc1nccn1C)C(N)=NO
InChIInChI=1S/C10H19N5O/c1-3-8(10(11)14-16)12-5-4-9-13-6-7-15(9)2/h6-8,12,16H,3-5H2,1-2H3,(H2,11,14)
InChIKeyPCRWJMNMMCEUEU-UHFFFAOYSA-N
XLogP0.08
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

ethyl 2-[2-(1-methylimidazol-2-yl)ethylamino]butanoate
CID 64669742
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid
CID 103247006
4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
CID 61214125
N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide
CID 77063115
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667
N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide
CID 76915969
2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 61210159
methanamine;1-methyl-2-propylimidazole
CID 164902083
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylimidazol-2-yl)methylamino]methyl]propanimidamide
CID 103369725
1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
CID 114114925

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide (CID 77031327) is N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide is CCC(NCCc1nccn1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide?
The InChIKey is PCRWJMNMMCEUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-8(10(11)14-16)12-5-4-9-13-6-7-15(9)2/h6-8,12,16H,3-5H2,1-2H3,(H2,11,14).
What are the key properties of N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide?
N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide has a molecular weight of 225.30 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide is sourced from PubChem (CID 77031327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).