3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C12H26N4O — CID 114015122

IUPAC3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCN1CCCC1)CC(C)C(N)=NO
InChIInChI=1S/C12H26N4O/c1-3-15(10-11(2)12(13)14-17)8-9-16-6-4-5-7-16/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyFWHJUZBXYBATOE-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.79
Rot. Bonds7

About 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 114015122) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID114015122
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCN1CCCC1)CC(C)C(N)=NO
InChIInChI=1S/C12H26N4O/c1-3-15(10-11(2)12(13)14-17)8-9-16-6-4-5-7-16/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyFWHJUZBXYBATOE-UHFFFAOYSA-N
XLogP0.79
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.79
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-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 82897981
3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910360
N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 131905999
N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine
CID 82889621
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-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 43367909

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 114015122) is 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CCN1CCCC1)CC(C)C(N)=NO.
What is the InChIKey of 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is FWHJUZBXYBATOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-15(10-11(2)12(13)14-17)8-9-16-6-4-5-7-16/h11,17H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 114015122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).