2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine

C17H30N2OS — CID 62257623

IUPAC2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(c1cccs1)N(C)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C17H30N2OS/c1-14(15-7-6-10-21-15)19(5)12-17(8-9-20-13-17)11-18-16(2,3)4/h6-7,10,14,18H,8-9,11-13H2,1-5H3
InChIKeyXBUGSGHBIAINNX-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.54
Rot. Bonds6

About 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62257623) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62257623
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(c1cccs1)N(C)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C17H30N2OS/c1-14(15-7-6-10-21-15)19(5)12-17(8-9-20-13-17)11-18-16(2,3)4/h6-7,10,14,18H,8-9,11-13H2,1-5H3
InChIKeyXBUGSGHBIAINNX-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
2-methyl-N-[[3-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 112664942
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379929
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 82952519
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62260390
2-methyl-N-[[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 81074248
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 79486829
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62257623) is 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine is CC(c1cccs1)N(C)CC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is XBUGSGHBIAINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-14(15-7-6-10-21-15)19(5)12-17(8-9-20-13-17)11-18-16(2,3)4/h6-7,10,14,18H,8-9,11-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62257623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).