5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine

C16H31NS — CID 123843003

IUPAC5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine
SMILESCCCCCCCC(CC)CCC1=CCC(N)S1
InChIInChI=1S/C16H31NS/c1-3-5-6-7-8-9-14(4-2)10-11-15-12-13-16(17)18-15/h12,14,16H,3-11,13,17H2,1-2H3
InChIKeyBKRFOWYXPWLEKZ-UHFFFAOYSA-N
MW269.50 g/mol
LogP5.46
Rot. Bonds10

About 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine

5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine (PubChem CID 123843003) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine.

Molecular Properties

Compound Name5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine
PubChem CID123843003
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine
SMILESCCCCCCCC(CC)CCC1=CCC(N)S1
InChIInChI=1S/C16H31NS/c1-3-5-6-7-8-9-14(4-2)10-11-15-12-13-16(17)18-15/h12,14,16H,3-11,13,17H2,1-2H3
InChIKeyBKRFOWYXPWLEKZ-UHFFFAOYSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylethanamine
CID 19802885
2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 71166149
2-(3,7,11,15-Tetramethyl-2-hexadecaen-1-ylthio)ethylamine
CID 73654277
1-(3-Ethyl-2,6-dimethylhept-5-enyl)sulfanylethanamine
CID 118911042
2-(5-Methylidene-2-pent-1-en-2-yloctyl)sulfanylethanamine
CID 126605275
4-methyl-2-[(E)-9-methyl-7-methylidene-5-(2-methylprop-2-enyl)dec-3-enyl]sulfanylpent-1-en-3-amine
CID 132162718
(E,2S)-2,7,8-trimethyl-15-[17-(2-methyl-3-propylsulfanylbutyl)sulfanylheptadecylsulfanyl]pentadec-10-en-1-amine
CID 155207463
CID 156422232
CID 156422232
3-[4-[(E)-pent-3-enyl]-2,3-dihydrothiophen-3-yl]propan-1-amine
CID 169928318
[2-[(E)-4-heptan-4-ylsulfanylpent-2-enyl]cycloheptyl]methanamine
CID 170361719
2-[(E)-11-butan-2-yl-12,15,16-trimethyl-8-propylheptadec-3-en-7-yl]sulfanyl-N-methylethanamine
CID 163268412
2-(Cyclopent-3-en-1-yl)-1-(2-methylthiolan-2-yl)ethan-1-amine
CID 164653228

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine?
The IUPAC name of 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine (CID 123843003) is 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine.
What is the SMILES notation for 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine?
The canonical SMILES for 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine is CCCCCCCC(CC)CCC1=CCC(N)S1.
What is the InChIKey of 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine?
The InChIKey is BKRFOWYXPWLEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-3-5-6-7-8-9-14(4-2)10-11-15-12-13-16(17)18-15/h12,14,16H,3-11,13,17H2,1-2H3.
What are the key properties of 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine?
5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine has a molecular weight of 269.50 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyldecyl)-2,3-dihydrothiophen-2-amine is sourced from PubChem (CID 123843003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).