N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide

C11H21N5O — CID 77032766

IUPACN'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide
SMILESCC(CC(N)=NO)NCCCCn1ccnc1
InChIInChI=1S/C11H21N5O/c1-10(8-11(12)15-17)14-4-2-3-6-16-7-5-13-9-16/h5,7,9-10,14,17H,2-4,6,8H2,1H3,(H2,12,15)
InChIKeySCVWKRKBLDCYBI-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.78
Rot. Bonds8

About N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide

N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide (PubChem CID 77032766) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide
PubChem CID77032766
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide
SMILESCC(CC(N)=NO)NCCCCn1ccnc1
InChIInChI=1S/C11H21N5O/c1-10(8-11(12)15-17)14-4-2-3-6-16-7-5-13-9-16/h5,7,9-10,14,17H,2-4,6,8H2,1H3,(H2,12,15)
InChIKeySCVWKRKBLDCYBI-UHFFFAOYSA-N
XLogP0.78
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030707
methyl 2-(3-imidazol-1-ylpropylamino)-3-methylbutanoate
CID 54961185
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
CID 76917250
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
1-[(E)-N'-hydroxycarbamimidoyl]-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
CID 80597034
4-imidazol-1-ylbutylhydrazine
CID 86114724
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
N'-hydroxy-2-imidazol-1-ylethanimidamide
CID 24705664
methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide (CID 77032766) is N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide is CC(CC(N)=NO)NCCCCn1ccnc1.
What is the InChIKey of N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide?
The InChIKey is SCVWKRKBLDCYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-10(8-11(12)15-17)14-4-2-3-6-16-7-5-13-9-16/h5,7,9-10,14,17H,2-4,6,8H2,1H3,(H2,12,15).
What are the key properties of N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide?
N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide has a molecular weight of 239.32 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide is sourced from PubChem (CID 77032766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).