N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine

C11H19NOS — CID 66351236

IUPACN-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine
SMILESCOC(C)(C)CC(C)Nc1ccsc1
InChIInChI=1S/C11H19NOS/c1-9(7-11(2,3)13-4)12-10-5-6-14-8-10/h5-6,8-9,12H,7H2,1-4H3
InChIKeyZOTNOOXFPPDAME-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.36
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine

N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine (PubChem CID 66351236) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine
PubChem CID66351236
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine
SMILESCOC(C)(C)CC(C)Nc1ccsc1
InChIInChI=1S/C11H19NOS/c1-9(7-11(2,3)13-4)12-10-5-6-14-8-10/h5-6,8-9,12H,7H2,1-4H3
InChIKeyZOTNOOXFPPDAME-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine (CID 66351236) is N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine is COC(C)(C)CC(C)Nc1ccsc1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine?
The InChIKey is ZOTNOOXFPPDAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-9(7-11(2,3)13-4)12-10-5-6-14-8-10/h5-6,8-9,12H,7H2,1-4H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine?
N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine has a molecular weight of 213.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)thiophen-3-amine is sourced from PubChem (CID 66351236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).