2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C13H20N2S — CID 60776605

IUPAC2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCC2=CCCCC2)s1
InChIInChI=1S/C13H20N2S/c1-11-15-10-13(16-11)9-14-8-7-12-5-3-2-4-6-12/h5,10,14H,2-4,6-9H2,1H3
InChIKeyFXWJAPGGLVQMEC-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.43
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 60776605) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID60776605
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCC2=CCCCC2)s1
InChIInChI=1S/C13H20N2S/c1-11-15-10-13(16-11)9-14-8-7-12-5-3-2-4-6-12/h5,10,14H,2-4,6-9H2,1H3
InChIKeyFXWJAPGGLVQMEC-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 60776605) is 2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncc(CNCCC2=CCCCC2)s1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is FXWJAPGGLVQMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-11-15-10-13(16-11)9-14-8-7-12-5-3-2-4-6-12/h5,10,14H,2-4,6-9H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 236.38 g/mol, XLogP of 3.43, 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-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 60776605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).