3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide

C15H29N3O2 — CID 79905469

IUPAC3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29N3O2/c1-2-18(10-6-14(16)17-19)13-7-11-20-15(12-13)8-4-3-5-9-15/h13,19H,2-12H2,1H3,(H2,16,17)
InChIKeyMPSXLBMKBFIYCP-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.33
Rot. Bonds5

About 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide

3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 79905469) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
PubChem CID79905469
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29N3O2/c1-2-18(10-6-14(16)17-19)13-7-11-20-15(12-13)8-4-3-5-9-15/h13,19H,2-12H2,1H3,(H2,16,17)
InChIKeyMPSXLBMKBFIYCP-UHFFFAOYSA-N
XLogP2.33
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.33
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 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide (CID 79905469) is 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is MPSXLBMKBFIYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-18(10-6-14(16)17-19)13-7-11-20-15(12-13)8-4-3-5-9-15/h13,19H,2-12H2,1H3,(H2,16,17).
What are the key properties of 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide?
3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 283.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-oxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 79905469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).