3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine

C15H27N3O — CID 80682526

IUPAC3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2cnn(C)c2)C1(C)CC
InChIInChI=1S/C15H27N3O/c1-5-15(3)13(9-14(15)19-6-2)16-8-7-12-10-17-18(4)11-12/h10-11,13-14,16H,5-9H2,1-4H3
InChIKeyPYRPUMHWWVZRMH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds7

About 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 80682526) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
PubChem CID80682526
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2cnn(C)c2)C1(C)CC
InChIInChI=1S/C15H27N3O/c1-5-15(3)13(9-14(15)19-6-2)16-8-7-12-10-17-18(4)11-12/h10-11,13-14,16H,5-9H2,1-4H3
InChIKeyPYRPUMHWWVZRMH-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine (CID 80682526) is 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine is CCOC1CC(NCCc2cnn(C)c2)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is PYRPUMHWWVZRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-15(3)13(9-14(15)19-6-2)16-8-7-12-10-17-18(4)11-12/h10-11,13-14,16H,5-9H2,1-4H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 80682526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).