4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine

C11H18N2OS — CID 66235906

IUPAC4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
SMILESCN(Cc1ccsc1)CC1COCC1N
InChIInChI=1S/C11H18N2OS/c1-13(4-9-2-3-15-8-9)5-10-6-14-7-11(10)12/h2-3,8,10-11H,4-7,12H2,1H3
InChIKeyKFJVNQBGBICOPI-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.15
Rot. Bonds4

About 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine

4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine (PubChem CID 66235906) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
PubChem CID66235906
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
SMILESCN(Cc1ccsc1)CC1COCC1N
InChIInChI=1S/C11H18N2OS/c1-13(4-9-2-3-15-8-9)5-10-6-14-7-11(10)12/h2-3,8,10-11H,4-7,12H2,1H3
InChIKeyKFJVNQBGBICOPI-UHFFFAOYSA-N
XLogP1.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 43528182
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine
CID 66236313
4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 55093939
[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 79527589
4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
CID 66238345
N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 79385237
N,4-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616435
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63482196
N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
CID 56711474
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine (CID 66235906) is 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine is CN(Cc1ccsc1)CC1COCC1N.
What is the InChIKey of 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine?
The InChIKey is KFJVNQBGBICOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-13(4-9-2-3-15-8-9)5-10-6-14-7-11(10)12/h2-3,8,10-11H,4-7,12H2,1H3.
What are the key properties of 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine?
4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine has a molecular weight of 226.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66235906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).