[3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine

C14H24N4 — CID 104592966

IUPAC[3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(N2CC3(CCCCCC3)C2)n1
InChIInChI=1S/C14H24N4/c1-17-9-12(8-15)13(16-17)18-10-14(11-18)6-4-2-3-5-7-14/h9H,2-8,10-11,15H2,1H3
InChIKeyKWNXTWLKJQWKNX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.04
Rot. Bonds2

About [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine

[3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 104592966) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine
PubChem CID104592966
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name[3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(N2CC3(CCCCCC3)C2)n1
InChIInChI=1S/C14H24N4/c1-17-9-12(8-15)13(16-17)18-10-14(11-18)6-4-2-3-5-7-14/h9H,2-8,10-11,15H2,1H3
InChIKeyKWNXTWLKJQWKNX-UHFFFAOYSA-N
XLogP2.04
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine (CID 104592966) is [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine is Cn1cc(CN)c(N2CC3(CCCCCC3)C2)n1.
What is the InChIKey of [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is KWNXTWLKJQWKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17-9-12(8-15)13(16-17)18-10-14(11-18)6-4-2-3-5-7-14/h9H,2-8,10-11,15H2,1H3.
What are the key properties of [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine?
[3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 104592966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).