2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine

C17H30N2OS — CID 63740652

IUPAC2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCN(Cc1cccs1)CC1(CNC(C)(C)C)CCCOC1
InChIInChI=1S/C17H30N2OS/c1-16(2,3)18-12-17(8-6-9-20-14-17)13-19(4)11-15-7-5-10-21-15/h5,7,10,18H,6,8-9,11-14H2,1-4H3
InChIKeyOHUZDHZFDSPPHA-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.36
Rot. Bonds6

About 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine

2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine (PubChem CID 63740652) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
PubChem CID63740652
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCN(Cc1cccs1)CC1(CNC(C)(C)C)CCCOC1
InChIInChI=1S/C17H30N2OS/c1-16(2,3)18-12-17(8-6-9-20-14-17)13-19(4)11-15-7-5-10-21-15/h5,7,10,18H,6,8-9,11-14H2,1-4H3
InChIKeyOHUZDHZFDSPPHA-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62257623
2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
CID 65194455
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745371
N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 79486829
2-methyl-N-[[1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 63484371
2-methyl-N-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256483
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63494590
N-[[1-[[benzyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62262841
2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392863
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
CID 63774465
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine (CID 63740652) is 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine is CN(Cc1cccs1)CC1(CNC(C)(C)C)CCCOC1.
What is the InChIKey of 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine?
The InChIKey is OHUZDHZFDSPPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-16(2,3)18-12-17(8-6-9-20-14-17)13-19(4)11-15-7-5-10-21-15/h5,7,10,18H,6,8-9,11-14H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 3.36, 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(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63740652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).