2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine

C12H21N3O — CID 80682729

IUPAC2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
SMILESCC1CC(NCCc2cnn(C)c2)CCO1
InChIInChI=1S/C12H21N3O/c1-10-7-12(4-6-16-10)13-5-3-11-8-14-15(2)9-11/h8-10,12-13H,3-7H2,1-2H3
InChIKeyIXZOACYSNRIGJF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds4

About 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine

2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine (PubChem CID 80682729) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
PubChem CID80682729
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
SMILESCC1CC(NCCc2cnn(C)c2)CCO1
InChIInChI=1S/C12H21N3O/c1-10-7-12(4-6-16-10)13-5-3-11-8-14-15(2)9-11/h8-10,12-13H,3-7H2,1-2H3
InChIKeyIXZOACYSNRIGJF-UHFFFAOYSA-N
XLogP1.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103001948
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 80689155
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112730162
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine
CID 103910333
2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
CID 103887825
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 103887861
3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 80682298
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine (CID 80682729) is 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine is CC1CC(NCCc2cnn(C)c2)CCO1.
What is the InChIKey of 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
The InChIKey is IXZOACYSNRIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-7-12(4-6-16-10)13-5-3-11-8-14-15(2)9-11/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 80682729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).