2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine

C14H25N3O — CID 103887861

IUPAC2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCC1CC(NCc2cn(C)nc2C(C)C)CCO1
InChIInChI=1S/C14H25N3O/c1-10(2)14-12(9-17(4)16-14)8-15-13-5-6-18-11(3)7-13/h9-11,13,15H,5-8H2,1-4H3
InChIKeySVZHPXAZMDSYBO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds4

About 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine

2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine (PubChem CID 103887861) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
PubChem CID103887861
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCC1CC(NCc2cn(C)nc2C(C)C)CCO1
InChIInChI=1S/C14H25N3O/c1-10(2)14-12(9-17(4)16-14)8-15-13-5-6-18-11(3)7-13/h9-11,13,15H,5-8H2,1-4H3
InChIKeySVZHPXAZMDSYBO-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]thian-4-amine
CID 115614407
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
CID 112550179
4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 60958007
1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione
CID 103887824
2,2,6,6-tetramethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 43769646
1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 114107267
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
CID 103887825
2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
CID 43791284
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine
CID 103910381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine (CID 103887861) is 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine is CC1CC(NCc2cn(C)nc2C(C)C)CCO1.
What is the InChIKey of 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine?
The InChIKey is SVZHPXAZMDSYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)14-12(9-17(4)16-14)8-15-13-5-6-18-11(3)7-13/h9-11,13,15H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine?
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine has a molecular weight of 251.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103887861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).