N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine

C14H22N2S — CID 112703675

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCC2CC=CCC2)s1
InChIInChI=1S/C14H22N2S/c1-3-13-10-16-14(17-13)11(2)15-9-12-7-5-4-6-8-12/h4-5,10-12,15H,3,6-9H2,1-2H3
InChIKeyONPLRNOGCURSKE-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.71
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 112703675) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID112703675
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCC2CC=CCC2)s1
InChIInChI=1S/C14H22N2S/c1-3-13-10-16-14(17-13)11(2)15-9-12-7-5-4-6-8-12/h4-5,10-12,15H,3,6-9H2,1-2H3
InChIKeyONPLRNOGCURSKE-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorocyclohexa-2,4-dien-1-yl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanimidamide
CID 135269122
4,4-difluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 176397657
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104212743
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104212901
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104212902
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104463230
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104463231
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104463235
3-fluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 104463957
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine
CID 104924941
N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
CID 106784182
N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
CID 106784183

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (CID 112703675) is N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is CCc1cnc(C(C)NCC2CC=CCC2)s1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ONPLRNOGCURSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-13-10-16-14(17-13)11(2)15-9-12-7-5-4-6-8-12/h4-5,10-12,15H,3,6-9H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 112703675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).