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

C15H19N3O2 — CID 43690947

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine
SMILESc1cc2[nH]ncc2cc1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19N3O2/c1-2-14-11(10-16-18-14)9-13(1)17-12-3-5-15(6-4-12)19-7-8-20-15/h1-2,9-10,12,17H,3-8H2,(H,16,18)
InChIKeyIXJJZJOZZYORMA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.66
Rot. Bonds2

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine (PubChem CID 43690947) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine
PubChem CID43690947
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine
SMILESc1cc2[nH]ncc2cc1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19N3O2/c1-2-14-11(10-16-18-14)9-13(1)17-12-3-5-15(6-4-12)19-7-8-20-15/h1-2,9-10,12,17H,3-8H2,(H,16,18)
InChIKeyIXJJZJOZZYORMA-UHFFFAOYSA-N
XLogP2.66
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1H-indazol-5-yl)spiro[2.5]octane-2,6-diamine
CID 163894875
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 29279291
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
N-[3-(trifluoromethyl)cyclohexyl]-1H-indazol-5-amine
CID 64759996
N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43732753
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1H-indazol-5-amine
CID 115348820
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82794364
N-(4-bromo-3-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82857353
N-(7-azabicyclo[2.2.1]heptan-2-yl)-1H-indazol-5-amine
CID 67234945
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 57446054
N-(2-ethylcyclopentyl)-1H-indazol-5-amine
CID 115921658

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine (CID 43690947) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine is c1cc2[nH]ncc2cc1NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine?
The InChIKey is IXJJZJOZZYORMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-14-11(10-16-18-14)9-13(1)17-12-3-5-15(6-4-12)19-7-8-20-15/h1-2,9-10,12,17H,3-8H2,(H,16,18).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine has a molecular weight of 273.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine is sourced from PubChem (CID 43690947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).