2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

C14H25N3O — CID 116771490

IUPAC2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(c1ccnn1C)C(OC)C1CCCCC1
InChIInChI=1S/C14H25N3O/c1-15-13(12-9-10-16-17(12)2)14(18-3)11-7-5-4-6-8-11/h9-11,13-15H,4-8H2,1-3H3
InChIKeyBKWGSGHTTHFZHV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.28
Rot. Bonds5

About 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 116771490) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID116771490
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(c1ccnn1C)C(OC)C1CCCCC1
InChIInChI=1S/C14H25N3O/c1-15-13(12-9-10-16-17(12)2)14(18-3)11-7-5-4-6-8-11/h9-11,13-15H,4-8H2,1-3H3
InChIKeyBKWGSGHTTHFZHV-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
CID 116771231
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
CID 116722271
[2-cyclohexyl-2-methoxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105278592
2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine
CID 116724449
1-cyclohexyl-3-(furan-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771472
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103012610
2-cyclopentyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858828
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760
[cyclopentyl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105204250
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858379
2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771600
2-cyclopropyl-1-(furan-3-yl)-2-methoxy-N-methylethanamine
CID 116722206

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (CID 116771490) is 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is CNC(c1ccnn1C)C(OC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is BKWGSGHTTHFZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-15-13(12-9-10-16-17(12)2)14(18-3)11-7-5-4-6-8-11/h9-11,13-15H,4-8H2,1-3H3.
What are the key properties of 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 116771490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).