1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine

C13H20N2S — CID 115757017

IUPAC1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCC2CC=CCC2)s1
InChIInChI=1S/C13H20N2S/c1-2-12-9-15-13(16-12)10-14-8-11-6-4-3-5-7-11/h3-4,9,11,14H,2,5-8,10H2,1H3
InChIKeyIDOAMNNHOOFDNO-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.15
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 115757017) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID115757017
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCC2CC=CCC2)s1
InChIInChI=1S/C13H20N2S/c1-2-12-9-15-13(16-12)10-14-8-11-6-4-3-5-7-11/h3-4,9,11,14H,2,5-8,10H2,1H3
InChIKeyIDOAMNNHOOFDNO-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine (CID 115757017) is 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine is CCc1cnc(CNCC2CC=CCC2)s1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is IDOAMNNHOOFDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-12-9-15-13(16-12)10-14-8-11-6-4-3-5-7-11/h3-4,9,11,14H,2,5-8,10H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 236.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 115757017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).