2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine

C16H21N3O2 — CID 106658329

IUPAC2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine
SMILESCC1(C)OCC(Nc2ccccc2Cn2cccn2)CO1
InChIInChI=1S/C16H21N3O2/c1-16(2)20-11-14(12-21-16)18-15-7-4-3-6-13(15)10-19-9-5-8-17-19/h3-9,14,18H,10-12H2,1-2H3
InChIKeyWOEUEGRSGNFVII-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.49
Rot. Bonds4

About 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine

2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine (PubChem CID 106658329) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine
PubChem CID106658329
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine
SMILESCC1(C)OCC(Nc2ccccc2Cn2cccn2)CO1
InChIInChI=1S/C16H21N3O2/c1-16(2)20-11-14(12-21-16)18-15-7-4-3-6-13(15)10-19-9-5-8-17-19/h3-9,14,18H,10-12H2,1-2H3
InChIKeyWOEUEGRSGNFVII-UHFFFAOYSA-N
XLogP2.49
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
CID 43693822
N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline
CID 64501283
N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline
CID 64732808
N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 107235050
N-(2-ethylsulfanylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658623
N-(oxan-3-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
CID 63740904
N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
CID 79708171
N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 62655278
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 43693889
3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64892317
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 103818614

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine (CID 106658329) is 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine is CC1(C)OCC(Nc2ccccc2Cn2cccn2)CO1.
What is the InChIKey of 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine?
The InChIKey is WOEUEGRSGNFVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2)20-11-14(12-21-16)18-15-7-4-3-6-13(15)10-19-9-5-8-17-19/h3-9,14,18H,10-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine?
2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine has a molecular weight of 287.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 106658329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).