N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide

C11H25N3O — CID 43295869

IUPACN'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
SMILESCCC(C)CN(C)C(CC)C/C(N)=N/O
InChIInChI=1S/C11H25N3O/c1-5-9(3)8-14(4)10(6-2)7-11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyZGFGIEWOILQDGC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.88
Rot. Bonds7

About N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide

N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide (PubChem CID 43295869) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
PubChem CID43295869
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
SMILESCCC(C)CN(C)C(CC)C/C(N)=N/O
InChIInChI=1S/C11H25N3O/c1-5-9(3)8-14(4)10(6-2)7-11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyZGFGIEWOILQDGC-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
CID 76949179
N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide
CID 43269637
N'-hydroxy-4-[methyl(2-methylbutyl)amino]butanimidamide
CID 43295873
N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 43528245
3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
CID 82938574
2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
CID 43272969
3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide
CID 76912544
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 61442424
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847
N'-hydroxy-3-methylhexanimidamide
CID 76589131
2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 43295523

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide (CID 43295869) is N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide is CCC(C)CN(C)C(CC)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide?
The InChIKey is ZGFGIEWOILQDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-9(3)8-14(4)10(6-2)7-11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide?
N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide is sourced from PubChem (CID 43295869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).