2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine

C18H31NOS — CID 64851570

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NC(c2cccs2)C(C)C)C1(C)C
InChIInChI=1S/C18H31NOS/c1-12(2)11-20-16-10-15(18(16,5)6)19-17(13(3)4)14-8-7-9-21-14/h7-9,12-13,15-17,19H,10-11H2,1-6H3
InChIKeyXFZMZPGZEFCXQK-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.87
Rot. Bonds7

About 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine

2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine (PubChem CID 64851570) has the molecular formula C18H31NOS and a molecular weight of 309.52 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
PubChem CID64851570
Molecular FormulaC18H31NOS
Molecular Weight309.52 g/mol
Exact Mass309.21
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NC(c2cccs2)C(C)C)C1(C)C
InChIInChI=1S/C18H31NOS/c1-12(2)11-20-16-10-15(18(16,5)6)19-17(13(3)4)14-8-7-9-21-14/h7-9,12-13,15-17,19H,10-11H2,1-6H3
InChIKeyXFZMZPGZEFCXQK-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 64852889
2,2-dimethyl-3-(2-methylpropoxy)-N-[(1S)-1-thiophen-2-ylethyl]cyclobutan-1-amine
CID 81398534
2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 64852361
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852750
2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine
CID 82710610
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate
CID 64850189
3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
CID 81398155
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline
CID 64852334
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
CID 64853119
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64851577

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine (CID 64851570) is 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine is CC(C)COC1CC(NC(c2cccs2)C(C)C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The InChIKey is XFZMZPGZEFCXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOS/c1-12(2)11-20-16-10-15(18(16,5)6)19-17(13(3)4)14-8-7-9-21-14/h7-9,12-13,15-17,19H,10-11H2,1-6H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 64851570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).