2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide

C13H26N4O2 — CID 79172237

IUPAC2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCN1CCOC(CN(CC(N)=NO)C2CCCC2)C1
InChIInChI=1S/C13H26N4O2/c1-16-6-7-19-12(8-16)9-17(10-13(14)15-18)11-4-2-3-5-11/h11-12,18H,2-10H2,1H3,(H2,14,15)
InChIKeyQJEBFYHBBGBZAA-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.31
Rot. Bonds5

About 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide

2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide (PubChem CID 79172237) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide
PubChem CID79172237
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCN1CCOC(CN(CC(N)=NO)C2CCCC2)C1
InChIInChI=1S/C13H26N4O2/c1-16-6-7-19-12(8-16)9-17(10-13(14)15-18)11-4-2-3-5-11/h11-12,18H,2-10H2,1H3,(H2,14,15)
InChIKeyQJEBFYHBBGBZAA-UHFFFAOYSA-N
XLogP0.31
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide (CID 79172237) is 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide is CN1CCOC(CN(CC(N)=NO)C2CCCC2)C1.
What is the InChIKey of 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is QJEBFYHBBGBZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-16-6-7-19-12(8-16)9-17(10-13(14)15-18)11-4-2-3-5-11/h11-12,18H,2-10H2,1H3,(H2,14,15).
What are the key properties of 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 270.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 79172237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).