N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

C17H30N2OS — CID 107555416

IUPACN-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOC1CCCN(Cc2ccc(CNC(C)(C)C)s2)C1
InChIInChI=1S/C17H30N2OS/c1-5-20-14-7-6-10-19(12-14)13-16-9-8-15(21-16)11-18-17(2,3)4/h8-9,14,18H,5-7,10-13H2,1-4H3
InChIKeyJRRWCYXFXGXDHD-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.64
Rot. Bonds6

About N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107555416) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107555416
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOC1CCCN(Cc2ccc(CNC(C)(C)C)s2)C1
InChIInChI=1S/C17H30N2OS/c1-5-20-14-7-6-10-19(12-14)13-16-9-8-15(21-16)11-18-17(2,3)4/h8-9,14,18H,5-7,10-13H2,1-4H3
InChIKeyJRRWCYXFXGXDHD-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 107555416) is N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is CCOC1CCCN(Cc2ccc(CNC(C)(C)C)s2)C1.
What is the InChIKey of N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JRRWCYXFXGXDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-5-20-14-7-6-10-19(12-14)13-16-9-8-15(21-16)11-18-17(2,3)4/h8-9,14,18H,5-7,10-13H2,1-4H3.
What are the key properties of N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107555416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).