2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

C14H23NOS — CID 104537883

IUPAC2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCCC1CCOC1)c1cccs1
InChIInChI=1S/C14H23NOS/c1-11(2)14(13-4-3-9-17-13)15-7-5-12-6-8-16-10-12/h3-4,9,11-12,14-15H,5-8,10H2,1-2H3
InChIKeyUEYXKCMBEHDSBL-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.46
Rot. Bonds6

About 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 104537883) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID104537883
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCCC1CCOC1)c1cccs1
InChIInChI=1S/C14H23NOS/c1-11(2)14(13-4-3-9-17-13)15-7-5-12-6-8-16-10-12/h3-4,9,11-12,14-15H,5-8,10H2,1-2H3
InChIKeyUEYXKCMBEHDSBL-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102672384
3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine
CID 104537978
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089246
1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113411965
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
CID 102671497
N-(2-cyclopentyloxyethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 55262215
N-[(1R)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398410
N-[(1S)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398144
1-(3,4-dimethylphenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424522
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 61240692

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (CID 104537883) is 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCCC1CCOC1)c1cccs1.
What is the InChIKey of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is UEYXKCMBEHDSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11(2)14(13-4-3-9-17-13)15-7-5-12-6-8-16-10-12/h3-4,9,11-12,14-15H,5-8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 104537883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).