4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine

C17H28N2OS — CID 79912703

IUPAC4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)OC(C)(C)C(CN(Cc2cccs2)C2CC2)C1N
InChIInChI=1S/C17H28N2OS/c1-16(2)14(15(18)17(3,4)20-16)11-19(12-7-8-12)10-13-6-5-9-21-13/h5-6,9,12,14-15H,7-8,10-11,18H2,1-4H3
InChIKeyFBXLHLXRZOOBSH-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.24
Rot. Bonds5

About 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine

4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79912703) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79912703
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)OC(C)(C)C(CN(Cc2cccs2)C2CC2)C1N
InChIInChI=1S/C17H28N2OS/c1-16(2)14(15(18)17(3,4)20-16)11-19(12-7-8-12)10-13-6-5-9-21-13/h5-6,9,12,14-15H,7-8,10-11,18H2,1-4H3
InChIKeyFBXLHLXRZOOBSH-UHFFFAOYSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine with MolForge

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Related Compounds

4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55069477
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62610899
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 62609943
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411164
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79912703) is 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)OC(C)(C)C(CN(Cc2cccs2)C2CC2)C1N.
What is the InChIKey of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is FBXLHLXRZOOBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-16(2)14(15(18)17(3,4)20-16)11-19(12-7-8-12)10-13-6-5-9-21-13/h5-6,9,12,14-15H,7-8,10-11,18H2,1-4H3.
What are the key properties of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 308.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79912703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).