(5-butan-2-ylthiophen-2-yl)methanamine

C9H15NS — CID 83827152

IUPAC(5-butan-2-ylthiophen-2-yl)methanamine
SMILESCCC(C)c1ccc(CN)s1
InChIInChI=1S/C9H15NS/c1-3-7(2)9-5-4-8(6-10)11-9/h4-5,7H,3,6,10H2,1-2H3
InChIKeyDSMCSYRVMMWSNG-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.72
Rot. Bonds3

About (5-butan-2-ylthiophen-2-yl)methanamine

(5-butan-2-ylthiophen-2-yl)methanamine (PubChem CID 83827152) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (5-butan-2-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-butan-2-ylthiophen-2-yl)methanamine
PubChem CID83827152
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(5-butan-2-ylthiophen-2-yl)methanamine
SMILESCCC(C)c1ccc(CN)s1
InChIInChI=1S/C9H15NS/c1-3-7(2)9-5-4-8(6-10)11-9/h4-5,7H,3,6,10H2,1-2H3
InChIKeyDSMCSYRVMMWSNG-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-butan-2-ylthiophen-2-yl)methanamine?
The IUPAC name of (5-butan-2-ylthiophen-2-yl)methanamine (CID 83827152) is (5-butan-2-ylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-butan-2-ylthiophen-2-yl)methanamine?
The canonical SMILES for (5-butan-2-ylthiophen-2-yl)methanamine is CCC(C)c1ccc(CN)s1.
What is the InChIKey of (5-butan-2-ylthiophen-2-yl)methanamine?
The InChIKey is DSMCSYRVMMWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-7(2)9-5-4-8(6-10)11-9/h4-5,7H,3,6,10H2,1-2H3.
What are the key properties of (5-butan-2-ylthiophen-2-yl)methanamine?
(5-butan-2-ylthiophen-2-yl)methanamine has a molecular weight of 169.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 83827152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).