2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine

C12H21N3O — CID 104694550

IUPAC2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
SMILESCC1CC(NCCc2ccnn2C)CCO1
InChIInChI=1S/C12H21N3O/c1-10-9-11(5-8-16-10)13-6-3-12-4-7-14-15(12)2/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3
InChIKeyLPQZPUYWFQULNC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds4

About 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine

2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine (PubChem CID 104694550) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
PubChem CID104694550
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
SMILESCC1CC(NCCc2ccnn2C)CCO1
InChIInChI=1S/C12H21N3O/c1-10-9-11(5-8-16-10)13-6-3-12-4-7-14-15(12)2/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3
InChIKeyLPQZPUYWFQULNC-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

2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957
3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694448
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
3-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylcyclopentan-1-amine
CID 103015900
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine
CID 103910333
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine (CID 104694550) is 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine is CC1CC(NCCc2ccnn2C)CCO1.
What is the InChIKey of 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine?
The InChIKey is LPQZPUYWFQULNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-9-11(5-8-16-10)13-6-3-12-4-7-14-15(12)2/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine?
2-methyl-N-[2-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 104694550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).