3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane

C18H29N3O — CID 118746628

IUPAC3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(c3ccccn3)CC2)CN1C(C)C
InChIInChI=1S/C18H29N3O/c1-15(2)21-14-18(12-16(21)13-22-3)7-10-20(11-8-18)17-6-4-5-9-19-17/h4-6,9,15-16H,7-8,10-14H2,1-3H3
InChIKeyKTKNWFLARCDSRI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.80
Rot. Bonds4

About 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane

3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118746628) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118746628
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(c3ccccn3)CC2)CN1C(C)C
InChIInChI=1S/C18H29N3O/c1-15(2)21-14-18(12-16(21)13-22-3)7-10-20(11-8-18)17-6-4-5-9-19-17/h4-6,9,15-16H,7-8,10-14H2,1-3H3
InChIKeyKTKNWFLARCDSRI-UHFFFAOYSA-N
XLogP2.80
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane (CID 118746628) is 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(c3ccccn3)CC2)CN1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is KTKNWFLARCDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(2)21-14-18(12-16(21)13-22-3)7-10-20(11-8-18)17-6-4-5-9-19-17/h4-6,9,15-16H,7-8,10-14H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane?
3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 303.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118746628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).