1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine

C14H24N4 — CID 63315886

IUPAC1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCN2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C14H24N4/c15-13-3-8-18(16-13)12-11-17-9-6-14(7-10-17)4-1-2-5-14/h3,8H,1-2,4-7,9-12H2,(H2,15,16)
InChIKeyNGXYSJUNTBCMPJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds3

About 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine

1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine (PubChem CID 63315886) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine
PubChem CID63315886
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCN2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C14H24N4/c15-13-3-8-18(16-13)12-11-17-9-6-14(7-10-17)4-1-2-5-14/h3,8H,1-2,4-7,9-12H2,(H2,15,16)
InChIKeyNGXYSJUNTBCMPJ-UHFFFAOYSA-N
XLogP2.12
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine (CID 63315886) is 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine is Nc1ccn(CCN2CCC3(CCCC3)CC2)n1.
What is the InChIKey of 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine?
The InChIKey is NGXYSJUNTBCMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-13-3-8-18(16-13)12-11-17-9-6-14(7-10-17)4-1-2-5-14/h3,8H,1-2,4-7,9-12H2,(H2,15,16).
What are the key properties of 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine?
1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63315886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).