1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone

C18H33N3O3 — CID 56750706

IUPAC1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone
SMILESCN1CCC2(CC1)CN(C(=O)COCC1CCCCO1)CCN2C
InChIInChI=1S/C18H33N3O3/c1-19-8-6-18(7-9-19)15-21(11-10-20(18)2)17(22)14-23-13-16-5-3-4-12-24-16/h16H,3-15H2,1-2H3
InChIKeyCSUDKJDLMLIHKY-UHFFFAOYSA-N
MW339.48 g/mol
LogP0.81
Rot. Bonds4

About 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone

1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone (PubChem CID 56750706) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone
PubChem CID56750706
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone
SMILESCN1CCC2(CC1)CN(C(=O)COCC1CCCCO1)CCN2C
InChIInChI=1S/C18H33N3O3/c1-19-8-6-18(7-9-19)15-21(11-10-20(18)2)17(22)14-23-13-16-5-3-4-12-24-16/h16H,3-15H2,1-2H3
InChIKeyCSUDKJDLMLIHKY-UHFFFAOYSA-N
XLogP0.81
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone?
The IUPAC name of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone (CID 56750706) is 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone is CN1CCC2(CC1)CN(C(=O)COCC1CCCCO1)CCN2C.
What is the InChIKey of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone?
The InChIKey is CSUDKJDLMLIHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-19-8-6-18(7-9-19)15-21(11-10-20(18)2)17(22)14-23-13-16-5-3-4-12-24-16/h16H,3-15H2,1-2H3.
What are the key properties of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone?
1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone has a molecular weight of 339.48 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(oxan-2-ylmethoxy)ethanone is sourced from PubChem (CID 56750706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).