(E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine

C9H13NS — CID 102838741

IUPAC(E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine
SMILESCc1sccc1/C=C/CCN
InChIInChI=1S/C9H13NS/c1-8-9(5-7-11-8)4-2-3-6-10/h2,4-5,7H,3,6,10H2,1H3/b4-2+
InChIKeyYXOKJPJKOVNFFS-DUXPYHPUSA-N
MW167.28 g/mol
LogP2.42
Rot. Bonds3

About (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine

(E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine (PubChem CID 102838741) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine
PubChem CID102838741
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine
SMILESCc1sccc1/C=C/CCN
InChIInChI=1S/C9H13NS/c1-8-9(5-7-11-8)4-2-3-6-10/h2,4-5,7H,3,6,10H2,1H3/b4-2+
InChIKeyYXOKJPJKOVNFFS-DUXPYHPUSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine (CID 102838741) is (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine is Cc1sccc1/C=C/CCN.
What is the InChIKey of (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine?
The InChIKey is YXOKJPJKOVNFFS-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H13NS/c1-8-9(5-7-11-8)4-2-3-6-10/h2,4-5,7H,3,6,10H2,1H3/b4-2+.
What are the key properties of (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine?
(E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine has a molecular weight of 167.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine is sourced from PubChem (CID 102838741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).