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

C14H27N3O2 — CID 104889565

IUPAC2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCC1(C)CCC(CN(CC(N)=NO)C2CCCC2)O1
InChIInChI=1S/C14H27N3O2/c1-14(2)8-7-12(19-14)9-17(10-13(15)16-18)11-5-3-4-6-11/h11-12,18H,3-10H2,1-2H3,(H2,15,16)
InChIKeySGMOMJVAARNCEX-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.93
Rot. Bonds5

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

2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide (PubChem CID 104889565) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide
PubChem CID104889565
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCC1(C)CCC(CN(CC(N)=NO)C2CCCC2)O1
InChIInChI=1S/C14H27N3O2/c1-14(2)8-7-12(19-14)9-17(10-13(15)16-18)11-5-3-4-6-11/h11-12,18H,3-10H2,1-2H3,(H2,15,16)
InChIKeySGMOMJVAARNCEX-UHFFFAOYSA-N
XLogP1.93
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.93
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-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide (CID 104889565) is 2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide is CC1(C)CCC(CN(CC(N)=NO)C2CCCC2)O1.
What is the InChIKey of 2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is SGMOMJVAARNCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2)8-7-12(19-14)9-17(10-13(15)16-18)11-5-3-4-6-11/h11-12,18H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of 2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 269.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104889565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).