2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide

C11H21N3O2 — CID 77038077

IUPAC2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)C1CCOC1)=NO
InChIInChI=1S/C11H21N3O2/c12-11(13-15)7-14(9-3-1-2-4-9)10-5-6-16-8-10/h9-10,15H,1-8H2,(H2,12,13)
InChIKeyGUBWSLIKSPWGFK-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.77
Rot. Bonds4

About 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 77038077) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide
PubChem CID77038077
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)C1CCOC1)=NO
InChIInChI=1S/C11H21N3O2/c12-11(13-15)7-14(9-3-1-2-4-9)10-5-6-16-8-10/h9-10,15H,1-8H2,(H2,12,13)
InChIKeyGUBWSLIKSPWGFK-UHFFFAOYSA-N
XLogP0.77
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.77
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

2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79905989
N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
CID 77038029
3-[cyclopropyl(oxan-4-yl)amino]-N'-hydroxypropanimidamide
CID 77013640
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 104940294
3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
CID 82749549
2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
CID 77044633
2-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76929039
N'-hydroxy-2-(oxolan-3-yl)ethanimidamide
CID 109375750
trans-(1S,2S)-2-[ethyl(oxolan-3-yl)amino]cyclopentan-1-ol
CID 130590805
1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea
CID 67472879
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide (CID 77038077) is 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide is NC(CN(C1CCCC1)C1CCOC1)=NO.
What is the InChIKey of 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is GUBWSLIKSPWGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-11(13-15)7-14(9-3-1-2-4-9)10-5-6-16-8-10/h9-10,15H,1-8H2,(H2,12,13).
What are the key properties of 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 227.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77038077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).