N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide

C13H25N5O — CID 76917250

IUPACN'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CCCn1ccnc1)CCC(N)=NO
InChIInChI=1S/C13H25N5O/c1-12(2)10-17(8-4-13(14)16-19)6-3-7-18-9-5-15-11-18/h5,9,11-12,19H,3-4,6-8,10H2,1-2H3,(H2,14,16)
InChIKeyMHPJPFNONYOUDX-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.37
Rot. Bonds9

About N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide

N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide (PubChem CID 76917250) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
PubChem CID76917250
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CCCn1ccnc1)CCC(N)=NO
InChIInChI=1S/C13H25N5O/c1-12(2)10-17(8-4-13(14)16-19)6-3-7-18-9-5-15-11-18/h5,9,11-12,19H,3-4,6-8,10H2,1-2H3,(H2,14,16)
InChIKeyMHPJPFNONYOUDX-UHFFFAOYSA-N
XLogP1.37
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.37
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

2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
CID 63065726
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528083
N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide
CID 77032766
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030707
3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
CID 71321684
N'-hydroxy-2-imidazol-1-ylethanimidamide
CID 24705664
1-(7-methyloctyl)imidazole
CID 59001100
3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
N'-hydroxy-3-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]propanimidamide
CID 107043274

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide (CID 76917250) is N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide is CC(C)CN(CCCn1ccnc1)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide?
The InChIKey is MHPJPFNONYOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-12(2)10-17(8-4-13(14)16-19)6-3-7-18-9-5-15-11-18/h5,9,11-12,19H,3-4,6-8,10H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide?
N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide has a molecular weight of 267.38 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 76917250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).