2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide

C12H25N3O2 — CID 104647778

IUPAC2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide
SMILESCOCCCCN(CC(N)=NO)C1CCCC1
InChIInChI=1S/C12H25N3O2/c1-17-9-5-4-8-15(10-12(13)14-16)11-6-2-3-7-11/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyBGXXUCGESQARCX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds8

About 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide (PubChem CID 104647778) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide
PubChem CID104647778
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide
SMILESCOCCCCN(CC(N)=NO)C1CCCC1
InChIInChI=1S/C12H25N3O2/c1-17-9-5-4-8-15(10-12(13)14-16)11-6-2-3-7-11/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyBGXXUCGESQARCX-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.40
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

2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide
CID 77044952
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
2-[4-methoxybutyl(piperidin-4-yl)amino]acetamide
CID 104648571
2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
CID 77044633
N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine
CID 56792218
5-[cyclopropyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 109374552
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
2-[cyclopentyl(2-methoxyethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978825
5-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064112
N'-hydroxy-3-[2-methoxyethyl-(3-methylcyclohexyl)amino]propanimidamide
CID 77023065

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide (CID 104647778) is 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide is COCCCCN(CC(N)=NO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is BGXXUCGESQARCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-17-9-5-4-8-15(10-12(13)14-16)11-6-2-3-7-11/h11,16H,2-10H2,1H3,(H2,13,14).
What are the key properties of 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104647778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).