N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine

C14H23NOS — CID 113362826

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
SMILESCCc1ccc(CNCCC2CCCCO2)s1
InChIInChI=1S/C14H23NOS/c1-2-13-6-7-14(17-13)11-15-9-8-12-5-3-4-10-16-12/h6-7,12,15H,2-5,8-11H2,1H3
InChIKeyOSLGTIWFUKGUEU-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.36
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine

N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine (PubChem CID 113362826) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
PubChem CID113362826
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
SMILESCCc1ccc(CNCCC2CCCCO2)s1
InChIInChI=1S/C14H23NOS/c1-2-13-6-7-14(17-13)11-15-9-8-12-5-3-4-10-16-12/h6-7,12,15H,2-5,8-11H2,1H3
InChIKeyOSLGTIWFUKGUEU-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992898
1-(5-ethylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61335920
5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094372
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
N-[(3-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992828
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine
CID 55088440
1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 106011037
4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
CID 103993059
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine (CID 113362826) is N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine is CCc1ccc(CNCCC2CCCCO2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine?
The InChIKey is OSLGTIWFUKGUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-13-6-7-14(17-13)11-15-9-8-12-5-3-4-10-16-12/h6-7,12,15H,2-5,8-11H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine?
N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 113362826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).