3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine

C14H27N3O — CID 116727085

IUPAC3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)C(C)(C)OCC
InChIInChI=1S/C14H27N3O/c1-6-8-15-13(14(3,4)18-7-2)9-12-10-16-17(5)11-12/h10-11,13,15H,6-9H2,1-5H3
InChIKeyYYGZRFQQPFFYSM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.15
Rot. Bonds8

About 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine

3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine (PubChem CID 116727085) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
PubChem CID116727085
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)C(C)(C)OCC
InChIInChI=1S/C14H27N3O/c1-6-8-15-13(14(3,4)18-7-2)9-12-10-16-17(5)11-12/h10-11,13,15H,6-9H2,1-5H3
InChIKeyYYGZRFQQPFFYSM-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine
CID 103012413
3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine
CID 116759325
1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 79495508
3-ethoxy-1-(furan-3-yl)-3-methyl-N-propylbutan-2-amine
CID 116727069
3-ethoxy-3-methyl-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 116727209
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 116717153
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62126818
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
CID 116727253
N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116765990

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine (CID 116727085) is 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine is CCCNC(Cc1cnn(C)c1)C(C)(C)OCC.
What is the InChIKey of 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The InChIKey is YYGZRFQQPFFYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-8-15-13(14(3,4)18-7-2)9-12-10-16-17(5)11-12/h10-11,13,15H,6-9H2,1-5H3.
What are the key properties of 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 116727085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).