1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane

C18H29N3 — CID 166301336

IUPAC1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane
SMILESCC(C)(C)c1ccc(CN2CCCC23CCCNC3)cn1
InChIInChI=1S/C18H29N3/c1-17(2,3)16-7-6-15(12-20-16)13-21-11-5-9-18(21)8-4-10-19-14-18/h6-7,12,19H,4-5,8-11,13-14H2,1-3H3
InChIKeyVSPQEVSPFDFTSX-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.10
Rot. Bonds2

About 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane

1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane (PubChem CID 166301336) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane
PubChem CID166301336
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane
SMILESCC(C)(C)c1ccc(CN2CCCC23CCCNC3)cn1
InChIInChI=1S/C18H29N3/c1-17(2,3)16-7-6-15(12-20-16)13-21-11-5-9-18(21)8-4-10-19-14-18/h6-7,12,19H,4-5,8-11,13-14H2,1-3H3
InChIKeyVSPQEVSPFDFTSX-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane?
The IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane (CID 166301336) is 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane is CC(C)(C)c1ccc(CN2CCCC23CCCNC3)cn1.
What is the InChIKey of 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane?
The InChIKey is VSPQEVSPFDFTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-17(2,3)16-7-6-15(12-20-16)13-21-11-5-9-18(21)8-4-10-19-14-18/h6-7,12,19H,4-5,8-11,13-14H2,1-3H3.
What are the key properties of 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane?
1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane has a molecular weight of 287.45 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 166301336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).