3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine

C12H24N2O2 — CID 165451821

IUPAC3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine
SMILESCOCCCNC1CC(N)C12CCOCC2
InChIInChI=1S/C12H24N2O2/c1-15-6-2-5-14-11-9-10(13)12(11)3-7-16-8-4-12/h10-11,14H,2-9,13H2,1H3
InChIKeyJKTPWBLBYSRMGJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.51
Rot. Bonds5

About 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine

3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine (PubChem CID 165451821) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine
PubChem CID165451821
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine
SMILESCOCCCNC1CC(N)C12CCOCC2
InChIInChI=1S/C12H24N2O2/c1-15-6-2-5-14-11-9-10(13)12(11)3-7-16-8-4-12/h10-11,14H,2-9,13H2,1H3
InChIKeyJKTPWBLBYSRMGJ-UHFFFAOYSA-N
XLogP0.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine?
The IUPAC name of 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine (CID 165451821) is 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine.
What is the SMILES notation for 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine?
The canonical SMILES for 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine is COCCCNC1CC(N)C12CCOCC2.
What is the InChIKey of 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine?
The InChIKey is JKTPWBLBYSRMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-15-6-2-5-14-11-9-10(13)12(11)3-7-16-8-4-12/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine?
3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine has a molecular weight of 228.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine is sourced from PubChem (CID 165451821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).