[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine

C13H26N2O3 — CID 105206283

IUPAC[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
SMILESCOCCC(NN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H26N2O3/c1-16-6-3-12(15-14)11-2-7-18-13(10-11)4-8-17-9-5-13/h11-12,15H,2-10,14H2,1H3
InChIKeyJVLQJHIVXLKXNR-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.83
Rot. Bonds5

About [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine

[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine (PubChem CID 105206283) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine.

Molecular Properties

Compound Name[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
PubChem CID105206283
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
SMILESCOCCC(NN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H26N2O3/c1-16-6-3-12(15-14)11-2-7-18-13(10-11)4-8-17-9-5-13/h11-12,15H,2-10,14H2,1H3
InChIKeyJVLQJHIVXLKXNR-UHFFFAOYSA-N
XLogP0.83
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
CID 105323241
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxybutyl]hydrazine
CID 105266981
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentyl]hydrazine
CID 105207730
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine
CID 105325595
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265992
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79915501
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutyl]hydrazine
CID 105199138
3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 103149235

Frequently Asked Questions

What is the IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine?
The IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine (CID 105206283) is [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine.
What is the SMILES notation for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine?
The canonical SMILES for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine is COCCC(NN)C1CCOC2(CCOCC2)C1.
What is the InChIKey of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine?
The InChIKey is JVLQJHIVXLKXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-16-6-3-12(15-14)11-2-7-18-13(10-11)4-8-17-9-5-13/h11-12,15H,2-10,14H2,1H3.
What are the key properties of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine?
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine has a molecular weight of 258.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine is sourced from PubChem (CID 105206283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).