1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C17H31N3O — CID 116768134

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccn(C(C)C)n2)CCCC(C)C1
InChIInChI=1S/C17H31N3O/c1-5-21-17(9-6-7-14(4)12-17)16(18)11-15-8-10-20(19-15)13(2)3/h8,10,13-14,16H,5-7,9,11-12,18H2,1-4H3
InChIKeyIYLAPHCCXPXIPZ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.32
Rot. Bonds6

About 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 116768134) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID116768134
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccn(C(C)C)n2)CCCC(C)C1
InChIInChI=1S/C17H31N3O/c1-5-21-17(9-6-7-14(4)12-17)16(18)11-15-8-10-20(19-15)13(2)3/h8,10,13-14,16H,5-7,9,11-12,18H2,1-4H3
InChIKeyIYLAPHCCXPXIPZ-UHFFFAOYSA-N
XLogP3.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116765492
[1-(1-methoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105277428
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 116768070
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
1-(1-ethoxy-3-methylcyclohexyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 116767958
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116770578
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 116768134) is 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CCOC1(C(N)Cc2ccn(C(C)C)n2)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is IYLAPHCCXPXIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-21-17(9-6-7-14(4)12-17)16(18)11-15-8-10-20(19-15)13(2)3/h8,10,13-14,16H,5-7,9,11-12,18H2,1-4H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 116768134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).