N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C16H27N3O2 — CID 60931202

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C16H27N3O2/c1-11(2)19-13(4)15(12(3)18-19)17-14-5-7-16(8-6-14)20-9-10-21-16/h11,14,17H,5-10H2,1-4H3
InChIKeyHVVCLBRPTVJKMD-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.18
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 60931202) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID60931202
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C16H27N3O2/c1-11(2)19-13(4)15(12(3)18-19)17-14-5-7-16(8-6-14)20-9-10-21-16/h11,14,17H,5-10H2,1-4H3
InChIKeyHVVCLBRPTVJKMD-UHFFFAOYSA-N
XLogP3.18
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine with MolForge

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Related Compounds

1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-iodo-3,5-dimethyl-1H-pyrazole
CID 67003907
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole
CID 129139590
7-(3,5-Dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 16782244
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,5-trimethylpyrazol-4-amine
CID 28664742
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547254
N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine
CID 43768907
2-[4-[(1,4-Dioxaspiro[4.5]decan-8-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47617627
N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 54866530
7-(3,4,5-Trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61226549
7-(4-Ethyl-3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61237773
7-(3,5-dimethylpyrazol-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 61752435
7-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 61752499

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 60931202) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is HVVCLBRPTVJKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)19-13(4)15(12(3)18-19)17-14-5-7-16(8-6-14)20-9-10-21-16/h11,14,17H,5-10H2,1-4H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.18, 3 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)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 60931202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).