N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine

C13H22INS — CID 105028853

IUPACN-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1csc(I)c1
InChIInChI=1S/C13H22INS/c1-4-15-12(7-5-6-10(2)3)11-8-13(14)16-9-11/h8-10,12,15H,4-7H2,1-3H3
InChIKeyICQCPZCOHRDEPU-UHFFFAOYSA-N
MW351.30 g/mol
LogP4.83
Rot. Bonds7

About N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine

N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine (PubChem CID 105028853) has the molecular formula C13H22INS and a molecular weight of 351.30 g/mol. Its IUPAC name is N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine
PubChem CID105028853
Molecular FormulaC13H22INS
Molecular Weight351.30 g/mol
Exact Mass351.05
IUPAC NameN-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1csc(I)c1
InChIInChI=1S/C13H22INS/c1-4-15-12(7-5-6-10(2)3)11-8-13(14)16-9-11/h8-10,12,15H,4-7H2,1-3H3
InChIKeyICQCPZCOHRDEPU-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine
CID 115837319
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993701
N-ethyl-1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030990
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 79693155
N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 79693438
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115863174
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine
CID 104995710
1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
CID 115859344
1-(4-bromo-3-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028649

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine?
The IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine (CID 105028853) is N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine?
The canonical SMILES for N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1csc(I)c1.
What is the InChIKey of N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine?
The InChIKey is ICQCPZCOHRDEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22INS/c1-4-15-12(7-5-6-10(2)3)11-8-13(14)16-9-11/h8-10,12,15H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine?
N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine has a molecular weight of 351.30 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine is sourced from PubChem (CID 105028853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).