N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine

C11H19NOS — CID 115702396

IUPACN-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc(OC)s1
InChIInChI=1S/C11H19NOS/c1-5-11(2,3)12-8-9-6-7-10(13-4)14-9/h6-7,12H,5,8H2,1-4H3
InChIKeyNSQLWSRSRPLPHR-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.03
Rot. Bonds5

About N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine

N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine (PubChem CID 115702396) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine
PubChem CID115702396
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc(OC)s1
InChIInChI=1S/C11H19NOS/c1-5-11(2,3)12-8-9-6-7-10(13-4)14-9/h6-7,12H,5,8H2,1-4H3
InChIKeyNSQLWSRSRPLPHR-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine (CID 115702396) is N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1ccc(OC)s1.
What is the InChIKey of N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine?
The InChIKey is NSQLWSRSRPLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-5-11(2,3)12-8-9-6-7-10(13-4)14-9/h6-7,12H,5,8H2,1-4H3.
What are the key properties of N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine?
N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 115702396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).