3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide

C15H27N3O2 — CID 102898281

IUPAC3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CC1CCC2(CCCC2)O1)C1CC1)=NO
InChIInChI=1S/C15H27N3O2/c16-14(17-19)6-10-18(12-3-4-12)11-13-5-9-15(20-13)7-1-2-8-15/h12-13,19H,1-11H2,(H2,16,17)
InChIKeyOPLDVHNFHVDSEQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.08
Rot. Bonds6

About 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 102898281) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID102898281
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CC1CCC2(CCCC2)O1)C1CC1)=NO
InChIInChI=1S/C15H27N3O2/c16-14(17-19)6-10-18(12-3-4-12)11-13-5-9-15(20-13)7-1-2-8-15/h12-13,19H,1-11H2,(H2,16,17)
InChIKeyOPLDVHNFHVDSEQ-UHFFFAOYSA-N
XLogP2.08
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.08
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

N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
CID 102898271
N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanimidamide
CID 102898272
3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 102898273
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 102898274
3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898275
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898276
N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
CID 102898277
N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanimidamide
CID 102898278
N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide
CID 102898279
N'-hydroxy-3-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]propanimidamide
CID 102898280
3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898282
N'-hydroxy-3-[2-methylpropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
CID 102898283

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 102898281) is 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide is NC(CCN(CC1CCC2(CCCC2)O1)C1CC1)=NO.
What is the InChIKey of 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is OPLDVHNFHVDSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-14(17-19)6-10-18(12-3-4-12)11-13-5-9-15(20-13)7-1-2-8-15/h12-13,19H,1-11H2,(H2,16,17).
What are the key properties of 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 281.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 102898281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).