1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine

C10H17N3O2 — CID 65352255

IUPAC1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)C2COCCO2)cn1
InChIInChI=1S/C10H17N3O2/c1-13-6-8(5-12-13)4-9(11)10-7-14-2-3-15-10/h5-6,9-10H,2-4,7,11H2,1H3
InChIKeyAKGYXSBJTAKOGA-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.29
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine

1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 65352255) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID65352255
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)C2COCCO2)cn1
InChIInChI=1S/C10H17N3O2/c1-13-6-8(5-12-13)4-9(11)10-7-14-2-3-15-10/h5-6,9-10H,2-4,7,11H2,1H3
InChIKeyAKGYXSBJTAKOGA-UHFFFAOYSA-N
XLogP-0.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine
CID 115821833
1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822001
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 65352870
1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115825359
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103544205
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79666951
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65412050
2-(1,4-dioxan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 138809605
2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105114039
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 65352255) is 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(CC(N)C2COCCO2)cn1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is AKGYXSBJTAKOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13-6-8(5-12-13)4-9(11)10-7-14-2-3-15-10/h5-6,9-10H,2-4,7,11H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 211.26 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65352255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).