9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane

C9H17NO2 — CID 19883360

IUPAC9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane
SMILESCCC1CCOC2(CCNC2)O1
InChIInChI=1S/C9H17NO2/c1-2-8-3-6-11-9(12-8)4-5-10-7-9/h8,10H,2-7H2,1H3
InChIKeyBGNVMMQGZQSGEL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds1

About 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane

9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane (PubChem CID 19883360) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane
PubChem CID19883360
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane
SMILESCCC1CCOC2(CCNC2)O1
InChIInChI=1S/C9H17NO2/c1-2-8-3-6-11-9(12-8)4-5-10-7-9/h8,10H,2-7H2,1H3
InChIKeyBGNVMMQGZQSGEL-UHFFFAOYSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Oxan-4-yloxy)pyrrolidine
CID 62328457
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]morpholine
CID 125514799
3-(Oxan-2-yloxy)pyrrolidine
CID 6487605
(R)-(3-Pyrrolidineoxy)tetrahydro-2H-pyran
CID 18392016
4-Methyl-6,10-dioxa-2-azaspiro[4.5]decane
CID 19883270
6,10-Dioxa-2-azaspiro[4.5]decan-9-ylmethanamine
CID 19883285
9-Methyl-6,10-dioxa-2-azaspiro[4.5]decan-8-amine
CID 19883305
6,10-Dioxa-2-azaspiro[4.5]decane
CID 19883338
(3S)-3-(oxan-2-yloxy)pyrrolidine
CID 20640589
1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine
CID 54256172
3-[(2R)-oxan-2-yl]oxypyrrolidine
CID 55250651
(S)-(3-Pyrrolidineoxy)tetrahydro-2H-pyran
CID 56972048

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane?
The IUPAC name of 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane (CID 19883360) is 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane?
The canonical SMILES for 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane is CCC1CCOC2(CCNC2)O1.
What is the InChIKey of 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane?
The InChIKey is BGNVMMQGZQSGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-8-3-6-11-9(12-8)4-5-10-7-9/h8,10H,2-7H2,1H3.
What are the key properties of 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane?
9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane has a molecular weight of 171.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6,10-dioxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 19883360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).