3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide

C16H29N3O2 — CID 102898282

IUPAC3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CC1CCC2(CCCCC2)O1)C1CC1)=NO
InChIInChI=1S/C16H29N3O2/c17-15(18-20)7-11-19(13-4-5-13)12-14-6-10-16(21-14)8-2-1-3-9-16/h13-14,20H,1-12H2,(H2,17,18)
InChIKeyQKJZOXYMIUDQCW-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.47
Rot. Bonds6

About 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 102898282) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID102898282
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CC1CCC2(CCCCC2)O1)C1CC1)=NO
InChIInChI=1S/C16H29N3O2/c17-15(18-20)7-11-19(13-4-5-13)12-14-6-10-16(21-14)8-2-1-3-9-16/h13-14,20H,1-12H2,(H2,17,18)
InChIKeyQKJZOXYMIUDQCW-UHFFFAOYSA-N
XLogP2.47
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.47
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-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
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[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898281

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 102898282) is 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide is NC(CCN(CC1CCC2(CCCCC2)O1)C1CC1)=NO.
What is the InChIKey of 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is QKJZOXYMIUDQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-15(18-20)7-11-19(13-4-5-13)12-14-6-10-16(21-14)8-2-1-3-9-16/h13-14,20H,1-12H2,(H2,17,18).
What are the key properties of 3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 295.43 g/mol, XLogP of 2.47, 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[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 102898282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).