N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine

C13H22N2S — CID 107009508

IUPACN-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1cncs1
InChIInChI=1S/C13H22N2S/c1-3-5-6-7-8-9-12(15-4-2)13-10-14-11-16-13/h3,10-12,15H,1,4-9H2,2H3
InChIKeyKGQLTWKHCIRLPS-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.93
Rot. Bonds9

About N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine

N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine (PubChem CID 107009508) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine
PubChem CID107009508
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1cncs1
InChIInChI=1S/C13H22N2S/c1-3-5-6-7-8-9-12(15-4-2)13-10-14-11-16-13/h3,10-12,15H,1,4-9H2,2H3
InChIKeyKGQLTWKHCIRLPS-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.93
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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Related Compounds

N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine
CID 115517469
1-(1,3-thiazol-5-yl)octylhydrazine
CID 105253705
1-(1,3-thiazol-5-yl)hexylhydrazine
CID 105253890
3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid
CID 83819254
N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine
CID 105153420
1-(4,5-dibromothiophen-2-yl)-N-ethylhex-5-en-1-amine
CID 104987151
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107008859
N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine
CID 105153078
1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
CID 107011981
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009080

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine?
The IUPAC name of N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine (CID 107009508) is N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine?
The canonical SMILES for N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine is C=CCCCCCC(NCC)c1cncs1.
What is the InChIKey of N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine?
The InChIKey is KGQLTWKHCIRLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-5-6-7-8-9-12(15-4-2)13-10-14-11-16-13/h3,10-12,15H,1,4-9H2,2H3.
What are the key properties of N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine?
N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine is sourced from PubChem (CID 107009508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).