N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine

C13H20INOS — CID 104993701

IUPACN-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1csc(I)c1
InChIInChI=1S/C13H20INOS/c1-2-15-12(10-8-13(14)17-9-10)6-5-11-4-3-7-16-11/h8-9,11-12,15H,2-7H2,1H3
InChIKeyMFAZPCNMZOSLEK-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.96
Rot. Bonds6

About N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine

N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993701) has the molecular formula C13H20INOS and a molecular weight of 365.28 g/mol. Its IUPAC name is N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993701
Molecular FormulaC13H20INOS
Molecular Weight365.28 g/mol
Exact Mass365.03
IUPAC NameN-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1csc(I)c1
InChIInChI=1S/C13H20INOS/c1-2-15-12(10-8-13(14)17-9-10)6-5-11-4-3-7-16-11/h8-9,11-12,15H,2-7H2,1H3
InChIKeyMFAZPCNMZOSLEK-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156974
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104991220
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105053635
N-ethyl-3-(oxolan-2-yl)-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 65156525
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 65166820
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 104993653
1-(3-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65278411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine (CID 104993701) is N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)c1csc(I)c1.
What is the InChIKey of N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is MFAZPCNMZOSLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INOS/c1-2-15-12(10-8-13(14)17-9-10)6-5-11-4-3-7-16-11/h8-9,11-12,15H,2-7H2,1H3.
What are the key properties of N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine?
N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 365.28 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).