N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide

C9H21N3O2 — CID 77027518

IUPACN'-hydroxy-5-(3-methoxypropylamino)pentanimidamide
SMILESCOCCCNCCCCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-14-8-4-7-11-6-3-2-5-9(10)12-13/h11,13H,2-8H2,1H3,(H2,10,12)
InChIKeyQRYAWDQSPGQJNG-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.53
Rot. Bonds9

About N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide

N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide (PubChem CID 77027518) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methoxypropylamino)pentanimidamide
PubChem CID77027518
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-5-(3-methoxypropylamino)pentanimidamide
SMILESCOCCCNCCCCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-14-8-4-7-11-6-3-2-5-9(10)12-13/h11,13H,2-8H2,1H3,(H2,10,12)
InChIKeyQRYAWDQSPGQJNG-UHFFFAOYSA-N
XLogP0.53
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-methoxypropylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide (CID 77027518) is N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide is COCCCNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide?
The InChIKey is QRYAWDQSPGQJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-14-8-4-7-11-6-3-2-5-9(10)12-13/h11,13H,2-8H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide?
N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide is sourced from PubChem (CID 77027518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).