2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine

C11H15NS2 — CID 80744863

IUPAC2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1cc2sccc2s1
InChIInChI=1S/C11H15NS2/c1-11(2,3)12-7-8-6-10-9(14-8)4-5-13-10/h4-6,12H,7H2,1-3H3
InChIKeyQULSRAOAZRQBRO-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.85
Rot. Bonds2

About 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine

2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine (PubChem CID 80744863) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine
PubChem CID80744863
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC Name2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1cc2sccc2s1
InChIInChI=1S/C11H15NS2/c1-11(2,3)12-7-8-6-10-9(14-8)4-5-13-10/h4-6,12H,7H2,1-3H3
InChIKeyQULSRAOAZRQBRO-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thieno[3,2-b]thiophen-5-ylmethyl)cyclopropanamine
CID 80744766
2-thieno[3,2-b]thiophen-5-ylethanamine
CID 170868981
ethane;5-methylthieno[3,2-b]thiophene
CID 91311898
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
thieno[3,2-b]thiophen-5-ylstannane
CID 149433263
N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine
CID 113409063
2-methyl-N-[(2-methylthiophen-3-yl)methyl]propan-2-amine
CID 102832538
N-[(5-chlorothieno[3,2-b]thiophen-2-yl)methyl]adamantan-1-amine;methane;N-(thieno[3,2-b]thiophen-5-ylmethyl)adamantan-1-amine
CID 158683999
N-[(2-bromothiophen-3-yl)methyl]-2-methylpropan-2-amine
CID 121367771
1-(thieno[3,2-b]thiophen-5-ylmethyl)piperazine
CID 80745758
N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745874
N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine (CID 80744863) is 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine is CC(C)(C)NCc1cc2sccc2s1.
What is the InChIKey of 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine?
The InChIKey is QULSRAOAZRQBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS2/c1-11(2,3)12-7-8-6-10-9(14-8)4-5-13-10/h4-6,12H,7H2,1-3H3.
What are the key properties of 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine?
2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 80744863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).