11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane

C15H30N2O — CID 64948942

IUPAC11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane
SMILESCOCCCCN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C15H30N2O/c1-18-13-6-5-11-17-12-7-10-16-15(14-17)8-3-2-4-9-15/h16H,2-14H2,1H3
InChIKeyRHCMKBHXNCFHTK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds5

About 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane

11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 64948942) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID64948942
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane
SMILESCOCCCCN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C15H30N2O/c1-18-13-6-5-11-17-12-7-10-16-15(14-17)8-3-2-4-9-15/h16H,2-14H2,1H3
InChIKeyRHCMKBHXNCFHTK-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane (CID 64948942) is 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane is COCCCCN1CCCNC2(CCCCC2)C1.
What is the InChIKey of 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is RHCMKBHXNCFHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-18-13-6-5-11-17-12-7-10-16-15(14-17)8-3-2-4-9-15/h16H,2-14H2,1H3.
What are the key properties of 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane?
11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 254.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxybutyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64948942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).