10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane

C14H28N2O — CID 64872192

IUPAC10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCOCCCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C14H28N2O/c1-13-6-9-15-14(7-3-4-8-14)12-16(13)10-5-11-17-2/h13,15H,3-12H2,1-2H3
InChIKeyLWEHASZYOYJTGD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane

10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane (PubChem CID 64872192) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
PubChem CID64872192
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCOCCCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C14H28N2O/c1-13-6-9-15-14(7-3-4-8-14)12-16(13)10-5-11-17-2/h13,15H,3-12H2,1-2H3
InChIKeyLWEHASZYOYJTGD-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
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 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane (CID 64872192) is 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane is COCCCN1CC2(CCCC2)NCCC1C.
What is the InChIKey of 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The InChIKey is LWEHASZYOYJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13-6-9-15-14(7-3-4-8-14)12-16(13)10-5-11-17-2/h13,15H,3-12H2,1-2H3.
What are the key properties of 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64872192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).