N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine

C14H23N3O2 — CID 28664742

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23N3O2/c1-10-13(11(2)17(3)16-10)15-12-4-6-14(7-5-12)18-8-9-19-14/h12,15H,4-9H2,1-3H3
InChIKeyDJNREVTUKHSMLO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.13
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine (PubChem CID 28664742) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine
PubChem CID28664742
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23N3O2/c1-10-13(11(2)17(3)16-10)15-12-4-6-14(7-5-12)18-8-9-19-14/h12,15H,4-9H2,1-3H3
InChIKeyDJNREVTUKHSMLO-UHFFFAOYSA-N
XLogP2.13
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine (CID 28664742) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is DJNREVTUKHSMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-13(11(2)17(3)16-10)15-12-4-6-14(7-5-12)18-8-9-19-14/h12,15H,4-9H2,1-3H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 28664742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).