2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide

C15H29N3O2 — CID 104940294

IUPAC2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide
SMILESCC1(C)CC(N(CC(N)=NO)C2CCCC2)C(C)(C)O1
InChIInChI=1S/C15H29N3O2/c1-14(2)9-12(15(3,4)20-14)18(10-13(16)17-19)11-7-5-6-8-11/h11-12,19H,5-10H2,1-4H3,(H2,16,17)
InChIKeyNDFLANUWRJWKNU-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.32
Rot. Bonds4

About 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 104940294) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide
PubChem CID104940294
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide
SMILESCC1(C)CC(N(CC(N)=NO)C2CCCC2)C(C)(C)O1
InChIInChI=1S/C15H29N3O2/c1-14(2)9-12(15(3,4)20-14)18(10-13(16)17-19)11-7-5-6-8-11/h11-12,19H,5-10H2,1-4H3,(H2,16,17)
InChIKeyNDFLANUWRJWKNU-UHFFFAOYSA-N
XLogP2.32
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide (CID 104940294) is 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide is CC1(C)CC(N(CC(N)=NO)C2CCCC2)C(C)(C)O1.
What is the InChIKey of 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is NDFLANUWRJWKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2)9-12(15(3,4)20-14)18(10-13(16)17-19)11-7-5-6-8-11/h11-12,19H,5-10H2,1-4H3,(H2,16,17).
What are the key properties of 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 283.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104940294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).