1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

C16H27N3O2 — CID 99838203

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)n1cc(CNCC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C16H27N3O2/c1-13(2)19-12-15(11-18-19)10-17-9-14-3-5-16(6-4-14)20-7-8-21-16/h11-14,17H,3-10H2,1-2H3
InChIKeyGUGFXSRYGTXWTJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.49
Rot. Bonds5

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 99838203) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID99838203
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)n1cc(CNCC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C16H27N3O2/c1-13(2)19-12-15(11-18-19)10-17-9-14-3-5-16(6-4-14)20-7-8-21-16/h11-14,17H,3-10H2,1-2H3
InChIKeyGUGFXSRYGTXWTJ-UHFFFAOYSA-N
XLogP2.49
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

N-methyl-7-[4-(trifluoromethyl)pyrazol-1-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 64173739
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole
CID 59541140
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole;ethane
CID 144076600
4-Methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole
CID 155411652
7-(4-Methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 60872722
N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61035182
7-N-methyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61438459
7-(4-methylpyrazol-1-yl)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 61752673
N-methyl-7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61752714
N-ethyl-7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61753832
7-N,8-N-dimethyl-7-N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 61759104
N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide
CID 71981927

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 99838203) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is CC(C)n1cc(CNCC2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is GUGFXSRYGTXWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(2)19-12-15(11-18-19)10-17-9-14-3-5-16(6-4-14)20-7-8-21-16/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 293.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 99838203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).