2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene

C18H33N — CID 176829653

IUPAC2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene
SMILESCC(C)C1=C(C(C)C)CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C18H33N/c1-13(2)16-11-18(12-17(16)14(3)4)7-9-19(10-8-18)15(5)6/h13-15H,7-12H2,1-6H3
InChIKeyUGXLXGJMXSECOP-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.88
Rot. Bonds3

About 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene

2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene (PubChem CID 176829653) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene
PubChem CID176829653
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene
SMILESCC(C)C1=C(C(C)C)CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C18H33N/c1-13(2)16-11-18(12-17(16)14(3)4)7-9-19(10-8-18)15(5)6/h13-15H,7-12H2,1-6H3
InChIKeyUGXLXGJMXSECOP-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 142581827
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 176935087
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212

Frequently Asked Questions

What is the IUPAC name of 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene?
The IUPAC name of 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene (CID 176829653) is 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene is CC(C)C1=C(C(C)C)CC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene?
The InChIKey is UGXLXGJMXSECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-13(2)16-11-18(12-17(16)14(3)4)7-9-19(10-8-18)15(5)6/h13-15H,7-12H2,1-6H3.
What are the key properties of 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene?
2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene has a molecular weight of 263.47 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 176829653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).