8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane

C18H29N3 — CID 64877786

IUPAC8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1(CC)CNC2(CCCC2)CN1Cc1ccccn1
InChIInChI=1S/C18H29N3/c1-3-18(4-2)14-20-17(10-6-7-11-17)15-21(18)13-16-9-5-8-12-19-16/h5,8-9,12,20H,3-4,6-7,10-11,13-15H2,1-2H3
InChIKeyZSYYMVGPNMAAQM-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.36
Rot. Bonds4

About 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane

8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64877786) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64877786
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1(CC)CNC2(CCCC2)CN1Cc1ccccn1
InChIInChI=1S/C18H29N3/c1-3-18(4-2)14-20-17(10-6-7-11-17)15-21(18)13-16-9-5-8-12-19-16/h5,8-9,12,20H,3-4,6-7,10-11,13-15H2,1-2H3
InChIKeyZSYYMVGPNMAAQM-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64877786) is 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane is CCC1(CC)CNC2(CCCC2)CN1Cc1ccccn1.
What is the InChIKey of 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ZSYYMVGPNMAAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-18(4-2)14-20-17(10-6-7-11-17)15-21(18)13-16-9-5-8-12-19-16/h5,8-9,12,20H,3-4,6-7,10-11,13-15H2,1-2H3.
What are the key properties of 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 287.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).