3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane

C18H33N3 — CID 64947281

IUPAC3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1C1CCN2CCCC12
InChIInChI=1S/C18H33N3/c1-2-15-13-19-18(9-4-3-5-10-18)14-21(15)17-8-12-20-11-6-7-16(17)20/h15-17,19H,2-14H2,1H3
InChIKeyXVDFQZRXZKXNPN-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.61
Rot. Bonds2

About 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane

3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64947281) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID64947281
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1C1CCN2CCCC12
InChIInChI=1S/C18H33N3/c1-2-15-13-19-18(9-4-3-5-10-18)14-21(15)17-8-12-20-11-6-7-16(17)20/h15-17,19H,2-14H2,1H3
InChIKeyXVDFQZRXZKXNPN-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-9-(oxan-4-yl)-6,9-diazaspiro[4.5]decane
CID 64936190
8-ethyl-9-(1-propylpiperidin-4-yl)-6,9-diazaspiro[4.5]decane
CID 64946301
3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide
CID 64939489
11-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-7,11-diazaspiro[5.6]dodecane
CID 64945031
3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64946723
3-ethyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939389
9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923618
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64946703
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane (CID 64947281) is 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane is CCC1CNC2(CCCCC2)CN1C1CCN2CCCC12.
What is the InChIKey of 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is XVDFQZRXZKXNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-2-15-13-19-18(9-4-3-5-10-18)14-21(15)17-8-12-20-11-6-7-16(17)20/h15-17,19H,2-14H2,1H3.
What are the key properties of 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane?
3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 291.48 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64947281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).