8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane

C18H29N3 — CID 79263913

IUPAC8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1Cc1cccc(C)n1
InChIInChI=1S/C18H29N3/c1-4-17(3)13-19-18(10-5-6-11-18)14-21(17)12-16-9-7-8-15(2)20-16/h7-9,19H,4-6,10-14H2,1-3H3
InChIKeySETSQJJDSLTNDR-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.28
Rot. Bonds3

About 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane

8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 79263913) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID79263913
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1Cc1cccc(C)n1
InChIInChI=1S/C18H29N3/c1-4-17(3)13-19-18(10-5-6-11-18)14-21(17)12-16-9-7-8-15(2)20-16/h7-9,19H,4-6,10-14H2,1-3H3
InChIKeySETSQJJDSLTNDR-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane (CID 79263913) is 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane is CCC1(C)CNC2(CCCC2)CN1Cc1cccc(C)n1.
What is the InChIKey of 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is SETSQJJDSLTNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-17(3)13-19-18(10-5-6-11-18)14-21(17)12-16-9-7-8-15(2)20-16/h7-9,19H,4-6,10-14H2,1-3H3.
What are the key properties of 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane?
8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 287.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 79263913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).