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

C12H27N3O2 — CID 54986697

IUPACN'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
SMILESCOCCN(CCCC/C(N)=N/O)CC(C)C
InChIInChI=1S/C12H27N3O2/c1-11(2)10-15(8-9-17-3)7-5-4-6-12(13)14-16/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyGYCNRQPSOHHXDI-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.51
Rot. Bonds10

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

N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide (PubChem CID 54986697) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
PubChem CID54986697
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
SMILESCOCCN(CCCC/C(N)=N/O)CC(C)C
InChIInChI=1S/C12H27N3O2/c1-11(2)10-15(8-9-17-3)7-5-4-6-12(13)14-16/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyGYCNRQPSOHHXDI-UHFFFAOYSA-N
XLogP1.51
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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': '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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Related Compounds

5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide
CID 63584308
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
CID 54985939
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
CID 106725354
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
CID 76914449
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide
CID 104863502

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide (CID 54986697) is N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide is COCCN(CCCC/C(N)=N/O)CC(C)C.
What is the InChIKey of N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide?
The InChIKey is GYCNRQPSOHHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-11(2)10-15(8-9-17-3)7-5-4-6-12(13)14-16/h11,16H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide?
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide is sourced from PubChem (CID 54986697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).