N'-hydroxy-5-(4-methylpentylamino)pentanimidamide

C11H25N3O — CID 77032694

IUPACN'-hydroxy-5-(4-methylpentylamino)pentanimidamide
SMILESCC(C)CCCNCCCCC(N)=NO
InChIInChI=1S/C11H25N3O/c1-10(2)6-5-9-13-8-4-3-7-11(12)14-15/h10,13,15H,3-9H2,1-2H3,(H2,12,14)
InChIKeyCBVJCCLYEDDDLO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.93
Rot. Bonds9

About N'-hydroxy-5-(4-methylpentylamino)pentanimidamide

N'-hydroxy-5-(4-methylpentylamino)pentanimidamide (PubChem CID 77032694) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-hydroxy-5-(4-methylpentylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-methylpentylamino)pentanimidamide
PubChem CID77032694
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-hydroxy-5-(4-methylpentylamino)pentanimidamide
SMILESCC(C)CCCNCCCCC(N)=NO
InChIInChI=1S/C11H25N3O/c1-10(2)6-5-9-13-8-4-3-7-11(12)14-15/h10,13,15H,3-9H2,1-2H3,(H2,12,14)
InChIKeyCBVJCCLYEDDDLO-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-methylpentylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(4-methylpentylamino)pentanimidamide (CID 77032694) is N'-hydroxy-5-(4-methylpentylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4-methylpentylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4-methylpentylamino)pentanimidamide is CC(C)CCCNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(4-methylpentylamino)pentanimidamide?
The InChIKey is CBVJCCLYEDDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10(2)6-5-9-13-8-4-3-7-11(12)14-15/h10,13,15H,3-9H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-(4-methylpentylamino)pentanimidamide?
N'-hydroxy-5-(4-methylpentylamino)pentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-methylpentylamino)pentanimidamide is sourced from PubChem (CID 77032694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).