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

C14H23NO2S — CID 104705951

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCOC1(CNC(c2cccs2)C(C)C)CCOC1
InChIInChI=1S/C14H23NO2S/c1-11(2)13(12-5-4-8-18-12)15-9-14(16-3)6-7-17-10-14/h4-5,8,11,13,15H,6-7,9-10H2,1-3H3
InChIKeyMRUZGTZFKVITRQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.84
Rot. Bonds6

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

N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 104705951) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID104705951
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCOC1(CNC(c2cccs2)C(C)C)CCOC1
InChIInChI=1S/C14H23NO2S/c1-11(2)13(12-5-4-8-18-12)15-9-14(16-3)6-7-17-10-14/h4-5,8,11,13,15H,6-7,9-10H2,1-3H3
InChIKeyMRUZGTZFKVITRQ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 104705919
1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104759685
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104705857
2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol
CID 107270600
[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclopentyl]methanol
CID 113293621
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 104759790
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771
(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine
CID 99777290
1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705931

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 104705951) is N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is COC1(CNC(c2cccs2)C(C)C)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is MRUZGTZFKVITRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(2)13(12-5-4-8-18-12)15-9-14(16-3)6-7-17-10-14/h4-5,8,11,13,15H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 104705951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).