8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane

C16H25N3 — CID 64933810

IUPAC8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1CCc1ccncc1
InChIInChI=1S/C16H25N3/c1-14-12-18-16(7-2-3-8-16)13-19(14)11-6-15-4-9-17-10-5-15/h4-5,9-10,14,18H,2-3,6-8,11-13H2,1H3
InChIKeyZEUVCBDZCMVOCX-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.23
Rot. Bonds3

About 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane

8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64933810) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64933810
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1CCc1ccncc1
InChIInChI=1S/C16H25N3/c1-14-12-18-16(7-2-3-8-16)13-19(14)11-6-15-4-9-17-10-5-15/h4-5,9-10,14,18H,2-3,6-8,11-13H2,1H3
InChIKeyZEUVCBDZCMVOCX-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane (CID 64933810) is 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane is CC1CNC2(CCCC2)CN1CCc1ccncc1.
What is the InChIKey of 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ZEUVCBDZCMVOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-12-18-16(7-2-3-8-16)13-19(14)11-6-15-4-9-17-10-5-15/h4-5,9-10,14,18H,2-3,6-8,11-13H2,1H3.
What are the key properties of 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane?
8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 259.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64933810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).