3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone

C17H30N2O2 — CID 66259879

IUPAC3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-2-18-15-13-21-12-14(15)16(20)19-10-8-17(9-11-19)6-4-3-5-7-17/h14-15,18H,2-13H2,1H3
InChIKeyBDSRPXPRMLEPEF-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.18
Rot. Bonds3

About 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone

3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone (PubChem CID 66259879) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone
PubChem CID66259879
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-2-18-15-13-21-12-14(15)16(20)19-10-8-17(9-11-19)6-4-3-5-7-17/h14-15,18H,2-13H2,1H3
InChIKeyBDSRPXPRMLEPEF-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone (CID 66259879) is 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone is CCNC1COCC1C(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone?
The InChIKey is BDSRPXPRMLEPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-18-15-13-21-12-14(15)16(20)19-10-8-17(9-11-19)6-4-3-5-7-17/h14-15,18H,2-13H2,1H3.
What are the key properties of 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone?
3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone has a molecular weight of 294.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 66259879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).