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

C14H25N3O — CID 113491027

IUPAC4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCC(C)c1nn(C)cc1CNC1(C)CCOCC1
InChIInChI=1S/C14H25N3O/c1-11(2)13-12(10-17(4)16-13)9-15-14(3)5-7-18-8-6-14/h10-11,15H,5-9H2,1-4H3
InChIKeyFBYFETNLHPYUAK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds4

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

4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine (PubChem CID 113491027) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
PubChem CID113491027
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
SMILESCC(C)c1nn(C)cc1CNC1(C)CCOCC1
InChIInChI=1S/C14H25N3O/c1-11(2)13-12(10-17(4)16-13)9-15-14(3)5-7-18-8-6-14/h10-11,15H,5-9H2,1-4H3
InChIKeyFBYFETNLHPYUAK-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

[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol
CID 106297060
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine
CID 115885885
4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115758120
N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 103753035
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 112549466
2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79862119
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353474
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 103887861
2,2,6,6-tetramethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 43769646
N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 43766465
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine (CID 113491027) is 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine is CC(C)c1nn(C)cc1CNC1(C)CCOCC1.
What is the InChIKey of 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine?
The InChIKey is FBYFETNLHPYUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)13-12(10-17(4)16-13)9-15-14(3)5-7-18-8-6-14/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine?
4-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 4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 113491027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).