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

C14H22N2S — CID 54883321

IUPAC2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCc1ncc(CNCCC2=CCCCC2)s1
InChIInChI=1S/C14H22N2S/c1-2-14-16-11-13(17-14)10-15-9-8-12-6-4-3-5-7-12/h6,11,15H,2-5,7-10H2,1H3
InChIKeyTXKUZPKFCBDZSM-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.69
Rot. Bonds6

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

2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 54883321) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID54883321
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCc1ncc(CNCCC2=CCCCC2)s1
InChIInChI=1S/C14H22N2S/c1-2-14-16-11-13(17-14)10-15-9-8-12-6-4-3-5-7-12/h6,11,15H,2-5,7-10H2,1H3
InChIKeyTXKUZPKFCBDZSM-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.69
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-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 54883321) is 2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine is CCc1ncc(CNCCC2=CCCCC2)s1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is TXKUZPKFCBDZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-14-16-11-13(17-14)10-15-9-8-12-6-4-3-5-7-12/h6,11,15H,2-5,7-10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 250.41 g/mol, XLogP of 3.69, 6 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-ethyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 54883321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).