2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine

C17H30N2OS — CID 62392863

IUPAC2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCN(Cc1ccsc1)CC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C17H30N2OS/c1-16(2,3)18-13-17(6-8-20-9-7-17)14-19(4)11-15-5-10-21-12-15/h5,10,12,18H,6-9,11,13-14H2,1-4H3
InChIKeyWOYFKFHTBRHFKY-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.36
Rot. Bonds6

About 2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine

2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 62392863) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID62392863
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCN(Cc1ccsc1)CC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C17H30N2OS/c1-16(2,3)18-13-17(6-8-20-9-7-17)14-19(4)11-15-5-10-21-12-15/h5,10,12,18H,6-9,11,13-14H2,1-4H3
InChIKeyWOYFKFHTBRHFKY-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-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55241090
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741009
N-[[1-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 62257148
2-methyl-N-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256483
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol
CID 62390793
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62390633
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 65002220
N-[[1-[[benzyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62262841
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62422105
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine (CID 62392863) is 2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine is CN(Cc1ccsc1)CC1(CNC(C)(C)C)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is WOYFKFHTBRHFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-16(2,3)18-13-17(6-8-20-9-7-17)14-19(4)11-15-5-10-21-12-15/h5,10,12,18H,6-9,11,13-14H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-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-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62392863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).