3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide

C12H27N3O3 — CID 103409983

IUPAC3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCCOCCOC)CC(C)C(N)=NO
InChIInChI=1S/C12H27N3O3/c1-4-15(10-11(2)12(13)14-16)6-5-7-18-9-8-17-3/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyQGNPBZJFADMEQF-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.74
Rot. Bonds11

About 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 103409983) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID103409983
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC Name3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCCOCCOC)CC(C)C(N)=NO
InChIInChI=1S/C12H27N3O3/c1-4-15(10-11(2)12(13)14-16)6-5-7-18-9-8-17-3/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyQGNPBZJFADMEQF-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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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Related Compounds

3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
2-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxyethanimidamide
CID 103409988
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
CID 103179736
3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 104881692
3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910360
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
CID 103409810
3-[2-(4-bromophenoxy)ethyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910381
3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77073419
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
3-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61451610

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide (CID 103409983) is 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CCCOCCOC)CC(C)C(N)=NO.
What is the InChIKey of 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is QGNPBZJFADMEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-4-15(10-11(2)12(13)14-16)6-5-7-18-9-8-17-3/h11,16H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 261.37 g/mol, XLogP of 0.74, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 103409983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).