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

C12H27N3O2 — CID 54986696

IUPACN'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(CCOC)CC(C)C
InChIInChI=1S/C12H27N3O2/c1-5-11(8-12(13)14-16)15(6-7-17-4)9-10(2)3/h10-11,16H,5-9H2,1-4H3,(H2,13,14)
InChIKeyLFYMVIWXTSFVJW-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.51
Rot. Bonds9

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

N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide (PubChem CID 54986696) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
PubChem CID54986696
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(CCOC)CC(C)C
InChIInChI=1S/C12H27N3O2/c1-5-11(8-12(13)14-16)15(6-7-17-4)9-10(2)3/h10-11,16H,5-9H2,1-4H3,(H2,13,14)
InChIKeyLFYMVIWXTSFVJW-UHFFFAOYSA-N
XLogP1.51
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyethyl(2-methylpropyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide (CID 54986696) is N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide is CCC(C/C(N)=N/O)N(CCOC)CC(C)C.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide?
The InChIKey is LFYMVIWXTSFVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-5-11(8-12(13)14-16)15(6-7-17-4)9-10(2)3/h10-11,16H,5-9H2,1-4H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide?
N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide is sourced from PubChem (CID 54986696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).