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

C17H30N2OS — CID 114830377

IUPAC3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(Cc2cccs2)C(C)C)C1(C)C
InChIInChI=1S/C17H30N2OS/c1-6-20-15-10-17(18,16(15,4)5)12-19(13(2)3)11-14-8-7-9-21-14/h7-9,13,15H,6,10-12,18H2,1-5H3
InChIKeyKTAFBFFICQULBQ-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.49
Rot. Bonds7

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

3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine (PubChem CID 114830377) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
PubChem CID114830377
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(Cc2cccs2)C(C)C)C1(C)C
InChIInChI=1S/C17H30N2OS/c1-6-20-15-10-17(18,16(15,4)5)12-19(13(2)3)11-14-8-7-9-21-14/h7-9,13,15H,6,10-12,18H2,1-5H3
InChIKeyKTAFBFFICQULBQ-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine
CID 114830687
1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 81171454
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 63142751
3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 91652073
N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494867
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835236
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 63932948

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine (CID 114830377) is 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine is CCOC1CC(N)(CN(Cc2cccs2)C(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is KTAFBFFICQULBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-6-20-15-10-17(18,16(15,4)5)12-19(13(2)3)11-14-8-7-9-21-14/h7-9,13,15H,6,10-12,18H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 3.49, 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-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).