N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide

C11H25N3O2 — CID 61484122

IUPACN'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide
SMILESCC(C)CCOCCN(C)CCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-10(2)5-8-16-9-7-14(3)6-4-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyPOYRQLUIEPWPIQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.12
Rot. Bonds9

About N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide

N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide (PubChem CID 61484122) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide
PubChem CID61484122
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide
SMILESCC(C)CCOCCN(C)CCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-10(2)5-8-16-9-7-14(3)6-4-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyPOYRQLUIEPWPIQ-UHFFFAOYSA-N
XLogP1.12
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
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-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide (CID 61484122) is N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide is CC(C)CCOCCN(C)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide?
The InChIKey is POYRQLUIEPWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-10(2)5-8-16-9-7-14(3)6-4-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide?
N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanimidamide is sourced from PubChem (CID 61484122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).