2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide

C12H23N3O2 — CID 79906347

IUPAC2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H23N3O2/c1-2-15(9-11(13)14-16)10-4-7-17-12(8-10)5-3-6-12/h10,16H,2-9H2,1H3,(H2,13,14)
InChIKeyNDNOBVCIPRQCTP-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.16
Rot. Bonds4

About 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide

2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 79906347) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
PubChem CID79906347
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H23N3O2/c1-2-15(9-11(13)14-16)10-4-7-17-12(8-10)5-3-6-12/h10,16H,2-9H2,1H3,(H2,13,14)
InChIKeyNDNOBVCIPRQCTP-UHFFFAOYSA-N
XLogP1.16
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.16
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'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide
CID 79905622
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705
ethyl 2-[ethyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920431
3-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
CID 79902210

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide (CID 79906347) is 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is NDNOBVCIPRQCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-15(9-11(13)14-16)10-4-7-17-12(8-10)5-3-6-12/h10,16H,2-9H2,1H3,(H2,13,14).
What are the key properties of 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 241.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 79906347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).