1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine

C14H25N3 — CID 107190490

IUPAC1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)C2CCCCC2(C)C)n1
InChIInChI=1S/C14H25N3/c1-14(2)8-5-4-6-12(14)13(15)10-11-7-9-17(3)16-11/h7,9,12-13H,4-6,8,10,15H2,1-3H3
InChIKeyQXAMVMITGDFPAO-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.51
Rot. Bonds3

About 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine

1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 107190490) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID107190490
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)C2CCCCC2(C)C)n1
InChIInChI=1S/C14H25N3/c1-14(2)8-5-4-6-12(14)13(15)10-11-7-9-17(3)16-11/h7,9,12-13H,4-6,8,10,15H2,1-3H3
InChIKeyQXAMVMITGDFPAO-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 107194571
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189218
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189998
1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828785
[1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 107005813
1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
CID 82870101
1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 107189700
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105175095
2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107179648
[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 107190490) is 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine is Cn1ccc(CC(N)C2CCCCC2(C)C)n1.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is QXAMVMITGDFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2)8-5-4-6-12(14)13(15)10-11-7-9-17(3)16-11/h7,9,12-13H,4-6,8,10,15H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine?
1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107190490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).