2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one

C18H31N5O — CID 118688353

IUPAC2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CCN(C)C2=O
InChIInChI=1S/C18H31N5O/c1-19-9-11-22(2)13-15-12-20-21-16(15)14-4-6-18(7-5-14)8-10-23(3)17(18)24/h12,14,19H,4-11,13H2,1-3H3,(H,20,21)
InChIKeyRWEBMTXHKIYZFU-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.57
Rot. Bonds6

About 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one

2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one (PubChem CID 118688353) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one
PubChem CID118688353
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CCN(C)C2=O
InChIInChI=1S/C18H31N5O/c1-19-9-11-22(2)13-15-12-20-21-16(15)14-4-6-18(7-5-14)8-10-23(3)17(18)24/h12,14,19H,4-11,13H2,1-3H3,(H,20,21)
InChIKeyRWEBMTXHKIYZFU-UHFFFAOYSA-N
XLogP1.57
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one (CID 118688353) is 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one is CNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CCN(C)C2=O.
What is the InChIKey of 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is RWEBMTXHKIYZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-19-9-11-22(2)13-15-12-20-21-16(15)14-4-6-18(7-5-14)8-10-23(3)17(18)24/h12,14,19H,4-11,13H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one?
2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 333.48 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118688353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).