N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide

C10H23N3O2 — CID 77030684

IUPACN'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide
SMILESCOCC(C)CNCCCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-9(8-15-2)7-12-6-4-3-5-10(11)13-14/h9,12,14H,3-8H2,1-2H3,(H2,11,13)
InChIKeyKUUOYOGGODFZFA-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.78
Rot. Bonds9

About N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide

N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide (PubChem CID 77030684) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide
PubChem CID77030684
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide
SMILESCOCC(C)CNCCCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-9(8-15-2)7-12-6-4-3-5-10(11)13-14/h9,12,14H,3-8H2,1-2H3,(H2,11,13)
InChIKeyKUUOYOGGODFZFA-UHFFFAOYSA-N
XLogP0.78
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.78
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-methoxy-2-methylpropyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide (CID 77030684) is N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide is COCC(C)CNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide?
The InChIKey is KUUOYOGGODFZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-9(8-15-2)7-12-6-4-3-5-10(11)13-14/h9,12,14H,3-8H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide?
N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.78, 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-methoxy-2-methylpropyl)amino]pentanimidamide is sourced from PubChem (CID 77030684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).