2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide

C13H25N3O2 — CID 103134652

IUPAC2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCC1CCC(CN(CC(N)=NO)C2CCCC2)O1
InChIInChI=1S/C13H25N3O2/c1-10-6-7-12(18-10)8-16(9-13(14)15-17)11-4-2-3-5-11/h10-12,17H,2-9H2,1H3,(H2,14,15)
InChIKeyGEWKXEFSXJICNO-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.54
Rot. Bonds5

About 2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide

2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide (PubChem CID 103134652) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide
PubChem CID103134652
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCC1CCC(CN(CC(N)=NO)C2CCCC2)O1
InChIInChI=1S/C13H25N3O2/c1-10-6-7-12(18-10)8-16(9-13(14)15-17)11-4-2-3-5-11/h10-12,17H,2-9H2,1H3,(H2,14,15)
InChIKeyGEWKXEFSXJICNO-UHFFFAOYSA-N
XLogP1.54
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.54
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'}

Analyze 2-[cyclopentyl-[(5-methyloxolan-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-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide (CID 103134652) is 2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide is CC1CCC(CN(CC(N)=NO)C2CCCC2)O1.
What is the InChIKey of 2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is GEWKXEFSXJICNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10-6-7-12(18-10)8-16(9-13(14)15-17)11-4-2-3-5-11/h10-12,17H,2-9H2,1H3,(H2,14,15).
What are the key properties of 2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 255.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(5-methyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 103134652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).