3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine

C17H30N2OS — CID 114830687

IUPAC3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)C(C)Cc2cccs2)C1(C)C
InChIInChI=1S/C17H30N2OS/c1-6-20-15-11-17(18,16(15,3)4)12-19(5)13(2)10-14-8-7-9-21-14/h7-9,13,15H,6,10-12,18H2,1-5H3
InChIKeyUTQJMUGAUYKVCB-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.14
Rot. Bonds7

About 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine (PubChem CID 114830687) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine
PubChem CID114830687
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)C(C)Cc2cccs2)C1(C)C
InChIInChI=1S/C17H30N2OS/c1-6-20-15-11-17(18,16(15,3)4)12-19(5)13(2)10-14-8-7-9-21-14/h7-9,13,15H,6,10-12,18H2,1-5H3
InChIKeyUTQJMUGAUYKVCB-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine with MolForge

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Related Compounds

3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 114830377
3-ethoxy-2,2-dimethyl-1-[[methyl(2-phenylethyl)amino]methyl]cyclobutan-1-amine
CID 114830661
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 103563049
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]piperidin-4-ol
CID 79476515
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine
CID 79494859
3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 91652073
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 79489631
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79488254

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine (CID 114830687) is 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine is CCOC1CC(N)(CN(C)C(C)Cc2cccs2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine?
The InChIKey is UTQJMUGAUYKVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-6-20-15-11-17(18,16(15,3)4)12-19(5)13(2)10-14-8-7-9-21-14/h7-9,13,15H,6,10-12,18H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).