3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide

C11H25N3O2 — CID 104881692

IUPAC3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)C(C)CCOC
InChIInChI=1S/C11H25N3O2/c1-5-14(10(3)6-7-16-4)8-9(2)11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyGDVDWFMQTMYUEG-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.12
Rot. Bonds8

About 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 104881692) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID104881692
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)C(C)CCOC
InChIInChI=1S/C11H25N3O2/c1-5-14(10(3)6-7-16-4)8-9(2)11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyGDVDWFMQTMYUEG-UHFFFAOYSA-N
XLogP1.12
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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': '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

3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76914953
N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide
CID 43446125
3-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61451610
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
CID 54987486
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910844
3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 115354893
3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82927481
1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine
CID 62477993
N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]propanimidamide
CID 104861637

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 104881692) is 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)C(C)CCOC.
What is the InChIKey of 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is GDVDWFMQTMYUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-5-14(10(3)6-7-16-4)8-9(2)11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 104881692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).