N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide

C13H29N3O — CID 77063572

IUPACN'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide
SMILESCCC(C)CN(C)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O/c1-6-11(2)10-16(5)9-7-8-13(3,4)12(14)15-17/h11,17H,6-10H2,1-5H3,(H2,14,15)
InChIKeyPCQJUJZKGDYIOF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.52
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide (PubChem CID 77063572) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide
PubChem CID77063572
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide
SMILESCCC(C)CN(C)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O/c1-6-11(2)10-16(5)9-7-8-13(3,4)12(14)15-17/h11,17H,6-10H2,1-5H3,(H2,14,15)
InChIKeyPCQJUJZKGDYIOF-UHFFFAOYSA-N
XLogP2.52
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide (CID 77063572) is N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide is CCC(C)CN(C)CCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide?
The InChIKey is PCQJUJZKGDYIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-11(2)10-16(5)9-7-8-13(3,4)12(14)15-17/h11,17H,6-10H2,1-5H3,(H2,14,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide has a molecular weight of 243.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide is sourced from PubChem (CID 77063572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).