2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

C19H36N2O — CID 45185603

IUPAC2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(C3CCCCCCC3)C2)C1
InChIInChI=1S/C19H36N2O/c1-22-15-14-20-12-7-10-19(16-20)11-13-21(17-19)18-8-5-3-2-4-6-9-18/h18H,2-17H2,1H3
InChIKeyTZCQCNPPWDPXSK-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.53
Rot. Bonds4

About 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 45185603) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID45185603
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(C3CCCCCCC3)C2)C1
InChIInChI=1S/C19H36N2O/c1-22-15-14-20-12-7-10-19(16-20)11-13-21(17-19)18-8-5-3-2-4-6-9-18/h18H,2-17H2,1H3
InChIKeyTZCQCNPPWDPXSK-UHFFFAOYSA-N
XLogP3.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (CID 45185603) is 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is COCCN1CCCC2(CCN(C3CCCCCCC3)C2)C1.
What is the InChIKey of 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is TZCQCNPPWDPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-22-15-14-20-12-7-10-19(16-20)11-13-21(17-19)18-8-5-3-2-4-6-9-18/h18H,2-17H2,1H3.
What are the key properties of 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 308.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45185603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).