8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane

C16H25N3 — CID 64876595

IUPAC8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1cccnc1
InChIInChI=1S/C16H25N3/c1-2-15-11-18-16(7-3-4-8-16)13-19(15)12-14-6-5-9-17-10-14/h5-6,9-10,15,18H,2-4,7-8,11-13H2,1H3
InChIKeyVFZZZEBLKUFJDA-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.58
Rot. Bonds3

About 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane

8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64876595) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64876595
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1cccnc1
InChIInChI=1S/C16H25N3/c1-2-15-11-18-16(7-3-4-8-16)13-19(15)12-14-6-5-9-17-10-14/h5-6,9-10,15,18H,2-4,7-8,11-13H2,1H3
InChIKeyVFZZZEBLKUFJDA-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64876595) is 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1Cc1cccnc1.
What is the InChIKey of 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is VFZZZEBLKUFJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-15-11-18-16(7-3-4-8-16)13-19(15)12-14-6-5-9-17-10-14/h5-6,9-10,15,18H,2-4,7-8,11-13H2,1H3.
What are the key properties of 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 259.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64876595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).