2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine

C13H21NOS — CID 115338696

IUPAC2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
SMILESCC1OCCC1NCC(C)(C)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10-11(6-7-15-10)14-9-13(2,3)12-5-4-8-16-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3
InChIKeyHJMDHOVCYMWYDF-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.79
Rot. Bonds4

About 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine

2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine (PubChem CID 115338696) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
PubChem CID115338696
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
SMILESCC1OCCC1NCC(C)(C)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10-11(6-7-15-10)14-9-13(2,3)12-5-4-8-16-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3
InChIKeyHJMDHOVCYMWYDF-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 2967138
(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 2966636
N-(1-methoxypropan-2-yl)-2-thiophen-2-ylpropan-1-amine
CID 75495456
5,5-Dimethyl-2-(thiophen-2-ylmethylamino)hexane-1,4-diol
CID 121589439
2-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
CID 66276194
2-methyl-2-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 80526443
2-methyl-2-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 80527279
2-methyl-2-thiophen-2-yl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 80527302
2,2-dimethyl-N-(thiophen-2-ylmethyl)oxan-4-amine
CID 3758994
3-(1-Thiophen-2-ylethyl)morpholine
CID 57020335
(3S)-N-[(5-propan-2-ylthiophen-2-yl)methyl]oxolan-3-amine
CID 171586301
(3R)-N-[(5-propan-2-ylthiophen-2-yl)methyl]oxolan-3-amine
CID 171586308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine (CID 115338696) is 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine is CC1OCCC1NCC(C)(C)c1cccs1.
What is the InChIKey of 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine?
The InChIKey is HJMDHOVCYMWYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-11(6-7-15-10)14-9-13(2,3)12-5-4-8-16-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine?
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine has a molecular weight of 239.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine is sourced from PubChem (CID 115338696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).