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

C12H27N3O3 — CID 54985687

IUPACN'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(CCCOC)CCOC
InChIInChI=1S/C12H27N3O3/c1-4-11(10-12(13)14-16)15(7-9-18-3)6-5-8-17-2/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyYAEGRXPJGJGMLY-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.89
Rot. Bonds11

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

N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide (PubChem CID 54985687) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide
PubChem CID54985687
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(CCCOC)CCOC
InChIInChI=1S/C12H27N3O3/c1-4-11(10-12(13)14-16)15(7-9-18-3)6-5-8-17-2/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyYAEGRXPJGJGMLY-UHFFFAOYSA-N
XLogP0.89
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide (CID 54985687) is N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide is CCC(C/C(N)=N/O)N(CCCOC)CCOC.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide?
The InChIKey is YAEGRXPJGJGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-4-11(10-12(13)14-16)15(7-9-18-3)6-5-8-17-2/h11,16H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide?
N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide has a molecular weight of 261.37 g/mol, XLogP of 0.89, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide is sourced from PubChem (CID 54985687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).