N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide

C13H25N5O — CID 114528083

IUPACN'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CC/C(N)=N/O)CCc1nccn1C
InChIInChI=1S/C13H25N5O/c1-11(2)10-18(7-4-12(14)16-19)8-5-13-15-6-9-17(13)3/h6,9,11,19H,4-5,7-8,10H2,1-3H3,(H2,14,16)
InChIKeyIOFZGICPJIKMEX-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.06
Rot. Bonds8

About N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide

N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide (PubChem CID 114528083) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
PubChem CID114528083
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CC/C(N)=N/O)CCc1nccn1C
InChIInChI=1S/C13H25N5O/c1-11(2)10-18(7-4-12(14)16-19)8-5-13-15-6-9-17(13)3/h6,9,11,19H,4-5,7-8,10H2,1-3H3,(H2,14,16)
InChIKeyIOFZGICPJIKMEX-UHFFFAOYSA-N
XLogP1.06
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
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

3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528120
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 76981244
N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide
CID 103002963
N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide
CID 76936484
N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
CID 76917250
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
3-[2-(1-methylimidazol-2-yl)ethyl-propan-2-ylamino]propanethioamide
CID 114527902
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
N'-hydroxy-3-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]propanimidamide
CID 107043274
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
CID 76914449

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide (CID 114528083) is N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide is CC(C)CN(CC/C(N)=N/O)CCc1nccn1C.
What is the InChIKey of N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide?
The InChIKey is IOFZGICPJIKMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-11(2)10-18(7-4-12(14)16-19)8-5-13-15-6-9-17(13)3/h6,9,11,19H,4-5,7-8,10H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide?
N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide has a molecular weight of 267.38 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 114528083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).