2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane

C18H28N2 — CID 58101749

IUPAC2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCC(c3ccncc3)CC2)C1
InChIInChI=1S/C18H28N2/c1-17(2,3)20-13-10-18(14-20)8-4-15(5-9-18)16-6-11-19-12-7-16/h6-7,11-12,15H,4-5,8-10,13-14H2,1-3H3
InChIKeyDHFORBBCMOHAFU-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.23
Rot. Bonds1

About 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane

2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane (PubChem CID 58101749) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane
PubChem CID58101749
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCC(c3ccncc3)CC2)C1
InChIInChI=1S/C18H28N2/c1-17(2,3)20-13-10-18(14-20)8-4-15(5-9-18)16-6-11-19-12-7-16/h6-7,11-12,15H,4-5,8-10,13-14H2,1-3H3
InChIKeyDHFORBBCMOHAFU-UHFFFAOYSA-N
XLogP4.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 89594
CID 89594
CID 5282443
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CID 21855
CID 21855
CID 942
CID 942
CID 4761
CID 4761
CID 442649
CID 442649
CID 19861
CID 19861
CID 5702129
CID 5702129
CID 18985
CID 18985
CID 13651
CID 13651
CID 10874
CID 10874
CID 238307
CID 238307

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane?
The IUPAC name of 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane (CID 58101749) is 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane?
The canonical SMILES for 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane is CC(C)(C)N1CCC2(CCC(c3ccncc3)CC2)C1.
What is the InChIKey of 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane?
The InChIKey is DHFORBBCMOHAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-17(2,3)20-13-10-18(14-20)8-4-15(5-9-18)16-6-11-19-12-7-16/h6-7,11-12,15H,4-5,8-10,13-14H2,1-3H3.
What are the key properties of 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane?
2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane has a molecular weight of 272.44 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-pyridin-4-yl-2-azaspiro[4.5]decane is sourced from PubChem (CID 58101749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).