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

C13H23N3O — CID 116771231

IUPAC2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCOC(C1CCCCC1)C(N)c1ccnn1C
InChIInChI=1S/C13H23N3O/c1-16-11(8-9-15-16)12(14)13(17-2)10-6-4-3-5-7-10/h8-10,12-13H,3-7,14H2,1-2H3
InChIKeyZMXGHBXQHZSHKN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.02
Rot. Bonds4

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

2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 116771231) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID116771231
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCOC(C1CCCCC1)C(N)c1ccnn1C
InChIInChI=1S/C13H23N3O/c1-16-11(8-9-15-16)12(14)13(17-2)10-6-4-3-5-7-10/h8-10,12-13H,3-7,14H2,1-2H3
InChIKeyZMXGHBXQHZSHKN-UHFFFAOYSA-N
XLogP2.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 116771490
2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine
CID 79492637
2-cyclohexyl-2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114662095
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431
[cyclopentyl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105204250
[2-cyclohexyl-2-methoxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105278592
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103012610
2-cyclopropyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83826852
6-bicyclo[3.1.0]hexanyl-(2-methylpyrazol-3-yl)methanamine
CID 115858458
(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine
CID 65392017
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine (CID 116771231) is 2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine is COC(C1CCCCC1)C(N)c1ccnn1C.
What is the InChIKey of 2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is ZMXGHBXQHZSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16-11(8-9-15-16)12(14)13(17-2)10-6-4-3-5-7-10/h8-10,12-13H,3-7,14H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine?
2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 116771231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).