3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine

C16H23N3S — CID 134232707

IUPAC3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1ccc(-n2ccnc2)s1
InChIInChI=1S/C16H23N3S/c1-3-5-14(4-2)8-9-17-12-15-6-7-16(20-15)19-11-10-18-13-19/h3,6-7,10-11,13-14,17H,1,4-5,8-9,12H2,2H3
InChIKeyPYFPMOOJASMBQV-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.02
Rot. Bonds9

About 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine

3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine (PubChem CID 134232707) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine
PubChem CID134232707
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1ccc(-n2ccnc2)s1
InChIInChI=1S/C16H23N3S/c1-3-5-14(4-2)8-9-17-12-15-6-7-16(20-15)19-11-10-18-13-19/h3,6-7,10-11,13-14,17H,1,4-5,8-9,12H2,2H3
InChIKeyPYFPMOOJASMBQV-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-ethyl-N-(thieno[2,3-b]furan-5-ylmethyl)hex-5-en-1-amine
CID 134232679
3-ethyl-N-[(6-methoxy-1-benzothiophen-2-yl)methyl]hex-5-en-1-amine
CID 134232787
5-[(3-ethylhex-5-enylamino)methyl]pyrimidin-2-amine
CID 134232433
3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine
CID 134232737
4-[(3-ethylhex-5-enylamino)methyl]benzene-1,2-diol
CID 134232488
3-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]hex-5-en-1-amine
CID 134232736
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
3-ethyl-N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]hex-5-en-1-amine
CID 134232426
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
1-hex-5-en-3-ylimidazole
CID 121330081
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 106010807

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine (CID 134232707) is 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine is C=CCC(CC)CCNCc1ccc(-n2ccnc2)s1.
What is the InChIKey of 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine?
The InChIKey is PYFPMOOJASMBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-5-14(4-2)8-9-17-12-15-6-7-16(20-15)19-11-10-18-13-19/h3,6-7,10-11,13-14,17H,1,4-5,8-9,12H2,2H3.
What are the key properties of 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine?
3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine has a molecular weight of 289.45 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-imidazol-1-ylthiophen-2-yl)methyl]hex-5-en-1-amine is sourced from PubChem (CID 134232707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).