N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide

C11H25N3O — CID 43269637

IUPACN'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide
SMILESCCCN(C(C)C)C(CC)C/C(N)=N/O
InChIInChI=1S/C11H25N3O/c1-5-7-14(9(3)4)10(6-2)8-11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyJOHBFLJBQJGXOU-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.02
Rot. Bonds7

About N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide

N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide (PubChem CID 43269637) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide
PubChem CID43269637
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide
SMILESCCCN(C(C)C)C(CC)C/C(N)=N/O
InChIInChI=1S/C11H25N3O/c1-5-7-14(9(3)4)10(6-2)8-11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyJOHBFLJBQJGXOU-UHFFFAOYSA-N
XLogP2.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide
CID 76915771
N'-hydroxy-3-[pentyl(propan-2-yl)amino]butanimidamide
CID 76911929
3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide
CID 76912544
3-(dipropylamino)-N'-hydroxybutanimidamide
CID 76883738
N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
CID 43295869
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
CID 104710820
N'-hydroxy-3-methylhexanimidamide
CID 76589131
3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 43528245
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 60980113

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide (CID 43269637) is N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide is CCCN(C(C)C)C(CC)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide?
The InChIKey is JOHBFLJBQJGXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-7-14(9(3)4)10(6-2)8-11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide?
N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide is sourced from PubChem (CID 43269637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).