1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine

C14H27N3O — CID 65047775

IUPAC1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine
SMILESCOCC(NC(C)c1c(C)nn(C)c1C)C(C)C
InChIInChI=1S/C14H27N3O/c1-9(2)13(8-18-7)15-10(3)14-11(4)16-17(6)12(14)5/h9-10,13,15H,8H2,1-7H3
InChIKeyULXLYOUZWLPOKP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.36
Rot. Bonds6

About 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine

1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine (PubChem CID 65047775) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine
PubChem CID65047775
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine
SMILESCOCC(NC(C)c1c(C)nn(C)c1C)C(C)C
InChIInChI=1S/C14H27N3O/c1-9(2)13(8-18-7)15-10(3)14-11(4)16-17(6)12(14)5/h9-10,13,15H,8H2,1-7H3
InChIKeyULXLYOUZWLPOKP-UHFFFAOYSA-N
XLogP2.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine (CID 65047775) is 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine is COCC(NC(C)c1c(C)nn(C)c1C)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine?
The InChIKey is ULXLYOUZWLPOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-9(2)13(8-18-7)15-10(3)14-11(4)16-17(6)12(14)5/h9-10,13,15H,8H2,1-7H3.
What are the key properties of 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine?
1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 65047775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).