2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine

C15H25N3 — CID 114197720

IUPAC2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(CC1=CCCCC1)c1ccnn1C(C)C
InChIInChI=1S/C15H25N3/c1-12(2)18-15(9-10-17-18)14(16-3)11-13-7-5-4-6-8-13/h7,9-10,12,14,16H,4-6,8,11H2,1-3H3
InChIKeyVYULKWVOCDYBPE-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.62
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine

2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 114197720) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID114197720
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(CC1=CCCCC1)c1ccnn1C(C)C
InChIInChI=1S/C15H25N3/c1-12(2)18-15(9-10-17-18)14(16-3)11-13-7-5-4-6-8-13/h7,9-10,12,14,16H,4-6,8,11H2,1-3H3
InChIKeyVYULKWVOCDYBPE-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine (CID 114197720) is 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine is CNC(CC1=CCCCC1)c1ccnn1C(C)C.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is VYULKWVOCDYBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)18-15(9-10-17-18)14(16-3)11-13-7-5-4-6-8-13/h7,9-10,12,14,16H,4-6,8,11H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine?
2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 114197720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).