3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C15H29N3O3 — CID 79902214

IUPAC3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H29N3O3/c1-12(2)10-18(6-3-14(16)17-19)13-4-7-21-15(9-13)5-8-20-11-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17)
InChIKeyWBWPWOPASRSOAX-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.42
Rot. Bonds6

About 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 79902214) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID79902214
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H29N3O3/c1-12(2)10-18(6-3-14(16)17-19)13-4-7-21-15(9-13)5-8-20-11-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17)
InChIKeyWBWPWOPASRSOAX-UHFFFAOYSA-N
XLogP1.42
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]propanimidamide
CID 79902458
3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
CID 79905947
3-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
CID 79902210
3-[2-methylpropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanethioamide
CID 79906024
3-[(3,4-dimethylcyclohexyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 77054341
N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide
CID 77023051
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
CID 113468045
N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
CID 77013639
3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile
CID 79903094
2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid
CID 79894733

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 79902214) is 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CC(C)CN(CCC(N)=NO)C1CCOC2(CCOC2)C1.
What is the InChIKey of 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is WBWPWOPASRSOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12(2)10-18(6-3-14(16)17-19)13-4-7-21-15(9-13)5-8-20-11-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17).
What are the key properties of 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 299.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 79902214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).