N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

C17H32N2OS — CID 80720719

IUPACN-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(Cc1cc(CNC(C)(C)C)sc1C)C(C)COC
InChIInChI=1S/C17H32N2OS/c1-8-19(13(2)12-20-7)11-15-9-16(21-14(15)3)10-18-17(4,5)6/h9,13,18H,8,10-12H2,1-7H3
InChIKeyNWZCWTCYPYYGPF-UHFFFAOYSA-N
MW312.52 g/mol
LogP3.80
Rot. Bonds8

About N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 80720719) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID80720719
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC NameN-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(Cc1cc(CNC(C)(C)C)sc1C)C(C)COC
InChIInChI=1S/C17H32N2OS/c1-8-19(13(2)12-20-7)11-15-9-16(21-14(15)3)10-18-17(4,5)6/h9,13,18H,8,10-12H2,1-7H3
InChIKeyNWZCWTCYPYYGPF-UHFFFAOYSA-N
XLogP3.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 80720719) is N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is CCN(Cc1cc(CNC(C)(C)C)sc1C)C(C)COC.
What is the InChIKey of N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NWZCWTCYPYYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-8-19(13(2)12-20-7)11-15-9-16(21-14(15)3)10-18-17(4,5)6/h9,13,18H,8,10-12H2,1-7H3.
What are the key properties of N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 312.52 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80720719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).