8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

C14H24N4 — CID 97493658

IUPAC8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCCN2Cc2cnn(C)c2)CC1
InChIInChI=1S/C14H24N4/c1-16-8-5-14(6-9-16)4-3-7-18(14)12-13-10-15-17(2)11-13/h10-11H,3-9,12H2,1-2H3
InChIKeyBDYZAKFUVSPTOY-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.48
Rot. Bonds2

About 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97493658) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97493658
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCCN2Cc2cnn(C)c2)CC1
InChIInChI=1S/C14H24N4/c1-16-8-5-14(6-9-16)4-3-7-18(14)12-13-10-15-17(2)11-13/h10-11H,3-9,12H2,1-2H3
InChIKeyBDYZAKFUVSPTOY-UHFFFAOYSA-N
XLogP1.48
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97493658) is 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane is CN1CCC2(CCCN2Cc2cnn(C)c2)CC1.
What is the InChIKey of 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is BDYZAKFUVSPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-16-8-5-14(6-9-16)4-3-7-18(14)12-13-10-15-17(2)11-13/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 248.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97493658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).