1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine

C17H31N3O — CID 103012610

IUPAC1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCc1ccnn1C)C(OC)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-18-16(11-10-15-12-13-19-20(15)2)17(21-3)14-8-6-5-7-9-14/h12-14,16-18H,4-11H2,1-3H3
InChIKeyVQTKQCDXWONNER-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.93
Rot. Bonds8

About 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine

1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103012610) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103012610
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCc1ccnn1C)C(OC)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-18-16(11-10-15-12-13-19-20(15)2)17(21-3)14-8-6-5-7-9-14/h12-14,16-18H,4-11H2,1-3H3
InChIKeyVQTKQCDXWONNER-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-cyclohexyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103027149
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
CID 103030505
2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 116771490
1-cyclohexyl-N-ethyl-5,5,5-trifluoro-1-methoxypentan-2-amine
CID 116771700
4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103012292
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
CID 116771231
1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116771722

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103012610) is 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine is CCNC(CCc1ccnn1C)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is VQTKQCDXWONNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-18-16(11-10-15-12-13-19-20(15)2)17(21-3)14-8-6-5-7-9-14/h12-14,16-18H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine?
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103012610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).