2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine

C13H21NOS — CID 79918908

IUPAC2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
SMILESCC1(C)CC(NCc2cccs2)C(C)(C)O1
InChIInChI=1S/C13H21NOS/c1-12(2)8-11(13(3,4)15-12)14-9-10-6-5-7-16-10/h5-7,11,14H,8-9H2,1-4H3
InChIKeyWGZPHTQWBMPFBB-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.18
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine (PubChem CID 79918908) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
PubChem CID79918908
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
SMILESCC1(C)CC(NCc2cccs2)C(C)(C)O1
InChIInChI=1S/C13H21NOS/c1-12(2)8-11(13(3,4)15-12)14-9-10-6-5-7-16-10/h5-7,11,14H,8-9H2,1-4H3
InChIKeyWGZPHTQWBMPFBB-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 99632804
2,2,5,5-tetramethyl-N-(1-thiophen-2-ylethyl)oxolan-3-amine
CID 79917629
N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915639
N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide
CID 75471381
2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 79911059
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 114622374
N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79928164
(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine
CID 97102338
2,2,5,5-tetramethyl-N-[(6-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 79928608
2,2,5,5-tetramethyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 81333756
2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 79928053
(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632685

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine (CID 79918908) is 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine is CC1(C)CC(NCc2cccs2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine?
The InChIKey is WGZPHTQWBMPFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-12(2)8-11(13(3,4)15-12)14-9-10-6-5-7-16-10/h5-7,11,14H,8-9H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine has a molecular weight of 239.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 79918908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).