3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C15H29N3O2 — CID 102898273

IUPAC3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC1CCC2(CCCC2)O1)CC(C)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-3-18(10-12(2)14(16)17-19)11-13-6-9-15(20-13)7-4-5-8-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17)
InChIKeyZUFOPQLJZPVYTM-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.18
Rot. Bonds6

About 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 102898273) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID102898273
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC1CCC2(CCCC2)O1)CC(C)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-3-18(10-12(2)14(16)17-19)11-13-6-9-15(20-13)7-4-5-8-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17)
InChIKeyZUFOPQLJZPVYTM-UHFFFAOYSA-N
XLogP2.18
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.18
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

3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898276
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102897158
3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617362
3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 43367909
3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 114015122
2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
CID 102899153
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487849
3-[3,4-dihydro-1H-isochromen-1-ylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77023023
3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910360
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900869

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 102898273) is 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC1CCC2(CCCC2)O1)CC(C)C(N)=NO.
What is the InChIKey of 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZUFOPQLJZPVYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-18(10-12(2)14(16)17-19)11-13-6-9-15(20-13)7-4-5-8-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17).
What are the key properties of 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 283.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 102898273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).