N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C15H25N3O2 — CID 43751943

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1c(C(C)NC2CCC3(CC2)OCCO3)cnn1C
InChIInChI=1S/C15H25N3O2/c1-11(14-10-16-18(3)12(14)2)17-13-4-6-15(7-5-13)19-8-9-20-15/h10-11,13,17H,4-9H2,1-3H3
InChIKeyKWWUYXHQIBEPBQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.06
Rot. Bonds3

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43751943) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43751943
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1c(C(C)NC2CCC3(CC2)OCCO3)cnn1C
InChIInChI=1S/C15H25N3O2/c1-11(14-10-16-18(3)12(14)2)17-13-4-6-15(7-5-13)19-8-9-20-15/h10-11,13,17H,4-9H2,1-3H3
InChIKeyKWWUYXHQIBEPBQ-UHFFFAOYSA-N
XLogP2.06
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 68334425
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CID 123195691
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CID 123289657
CID 123289657
CID 123448714
CID 123448714
CID 135341977
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CID 144209852
CID 144209852
CID 144280199
CID 144280199

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 43751943) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is Cc1c(C(C)NC2CCC3(CC2)OCCO3)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is KWWUYXHQIBEPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(14-10-16-18(3)12(14)2)17-13-4-6-15(7-5-13)19-8-9-20-15/h10-11,13,17H,4-9H2,1-3H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 279.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43751943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).