3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C18H30N4O — CID 118744838

IUPAC3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(c3ccc(C)nn3)CC2)CN1C(C)C
InChIInChI=1S/C18H30N4O/c1-14(2)22-13-18(11-16(22)12-23-4)7-9-21(10-8-18)17-6-5-15(3)19-20-17/h5-6,14,16H,7-13H2,1-4H3
InChIKeyGOIZMKINCXPCJF-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.50
Rot. Bonds4

About 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118744838) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118744838
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(c3ccc(C)nn3)CC2)CN1C(C)C
InChIInChI=1S/C18H30N4O/c1-14(2)22-13-18(11-16(22)12-23-4)7-9-21(10-8-18)17-6-5-15(3)19-20-17/h5-6,14,16H,7-13H2,1-4H3
InChIKeyGOIZMKINCXPCJF-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 118744838) is 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(c3ccc(C)nn3)CC2)CN1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is GOIZMKINCXPCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14(2)22-13-18(11-16(22)12-23-4)7-9-21(10-8-18)17-6-5-15(3)19-20-17/h5-6,14,16H,7-13H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 318.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118744838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).