2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine

C11H19NS — CID 112756260

IUPAC2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
SMILESCCCC(C)(C)NCc1cccs1
InChIInChI=1S/C11H19NS/c1-4-7-11(2,3)12-9-10-6-5-8-13-10/h5-6,8,12H,4,7,9H2,1-3H3
InChIKeyPRRGDTRBNKCBSE-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.42
Rot. Bonds5

About 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine

2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine (PubChem CID 112756260) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
PubChem CID112756260
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
SMILESCCCC(C)(C)NCc1cccs1
InChIInChI=1S/C11H19NS/c1-4-7-11(2,3)12-9-10-6-5-8-13-10/h5-6,8,12H,4,7,9H2,1-3H3
InChIKeyPRRGDTRBNKCBSE-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine (CID 112756260) is 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine is CCCC(C)(C)NCc1cccs1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
The InChIKey is PRRGDTRBNKCBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-7-11(2,3)12-9-10-6-5-8-13-10/h5-6,8,12H,4,7,9H2,1-3H3.
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 112756260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).