N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide

C10H19N5O — CID 77030707

IUPACN'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
SMILESCC(Cn1ccnc1)NCCCC(N)=NO
InChIInChI=1S/C10H19N5O/c1-9(7-15-6-5-12-8-15)13-4-2-3-10(11)14-16/h5-6,8-9,13,16H,2-4,7H2,1H3,(H2,11,14)
InChIKeyZWQRWVHGSIIETN-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.39
Rot. Bonds7

About N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide

N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide (PubChem CID 77030707) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
PubChem CID77030707
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
SMILESCC(Cn1ccnc1)NCCCC(N)=NO
InChIInChI=1S/C10H19N5O/c1-9(7-15-6-5-12-8-15)13-4-2-3-10(11)14-16/h5-6,8-9,13,16H,2-4,7H2,1H3,(H2,11,14)
InChIKeyZWQRWVHGSIIETN-UHFFFAOYSA-N
XLogP0.39
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.39
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-3-(4-imidazol-1-ylbutylamino)butanimidamide
CID 77032766
methyl 4-(1-imidazol-1-ylpropan-2-ylamino)butanoate
CID 61479528
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030553
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate
CID 61479265
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
N'-hydroxy-2-imidazol-1-ylethanimidamide
CID 24705664
N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
CID 77030340
N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
CID 76917250

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide (CID 77030707) is N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide is CC(Cn1ccnc1)NCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide?
The InChIKey is ZWQRWVHGSIIETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-9(7-15-6-5-12-8-15)13-4-2-3-10(11)14-16/h5-6,8-9,13,16H,2-4,7H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide?
N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide has a molecular weight of 225.30 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide is sourced from PubChem (CID 77030707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).