N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide

C13H29N3O — CID 76937907

IUPACN'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
SMILESCCCC(C)CN(CCC(N)=NO)CC(C)C
InChIInChI=1S/C13H29N3O/c1-5-6-12(4)10-16(9-11(2)3)8-7-13(14)15-17/h11-12,17H,5-10H2,1-4H3,(H2,14,15)
InChIKeyVQMQPESKSLLWFZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.52
Rot. Bonds9

About N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide

N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide (PubChem CID 76937907) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
PubChem CID76937907
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
SMILESCCCC(C)CN(CCC(N)=NO)CC(C)C
InChIInChI=1S/C13H29N3O/c1-5-6-12(4)10-16(9-11(2)3)8-7-13(14)15-17/h11-12,17H,5-10H2,1-4H3,(H2,14,15)
InChIKeyVQMQPESKSLLWFZ-UHFFFAOYSA-N
XLogP2.52
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide (CID 76937907) is N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide is CCCC(C)CN(CCC(N)=NO)CC(C)C.
What is the InChIKey of N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide?
The InChIKey is VQMQPESKSLLWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-6-12(4)10-16(9-11(2)3)8-7-13(14)15-17/h11-12,17H,5-10H2,1-4H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide?
N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide has a molecular weight of 243.39 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 76937907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).