(E)-4-thiophen-2-ylpent-3-en-1-amine

C9H13NS — CID 82074766

IUPAC(E)-4-thiophen-2-ylpent-3-en-1-amine
SMILESC/C(=C\CCN)c1cccs1
InChIInChI=1S/C9H13NS/c1-8(4-2-6-10)9-5-3-7-11-9/h3-5,7H,2,6,10H2,1H3/b8-4+
InChIKeyXRZWGIZFURTIBQ-XBXARRHUSA-N
MW167.28 g/mol
LogP2.50
Rot. Bonds3

About (E)-4-thiophen-2-ylpent-3-en-1-amine

(E)-4-thiophen-2-ylpent-3-en-1-amine (PubChem CID 82074766) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (E)-4-thiophen-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-thiophen-2-ylpent-3-en-1-amine
PubChem CID82074766
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(E)-4-thiophen-2-ylpent-3-en-1-amine
SMILESC/C(=C\CCN)c1cccs1
InChIInChI=1S/C9H13NS/c1-8(4-2-6-10)9-5-3-7-11-9/h3-5,7H,2,6,10H2,1H3/b8-4+
InChIKeyXRZWGIZFURTIBQ-XBXARRHUSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-thiophen-2-ylpent-3-en-1-amine?
The IUPAC name of (E)-4-thiophen-2-ylpent-3-en-1-amine (CID 82074766) is (E)-4-thiophen-2-ylpent-3-en-1-amine.
What is the SMILES notation for (E)-4-thiophen-2-ylpent-3-en-1-amine?
The canonical SMILES for (E)-4-thiophen-2-ylpent-3-en-1-amine is C/C(=C\CCN)c1cccs1.
What is the InChIKey of (E)-4-thiophen-2-ylpent-3-en-1-amine?
The InChIKey is XRZWGIZFURTIBQ-XBXARRHUSA-N. The full InChI is InChI=1S/C9H13NS/c1-8(4-2-6-10)9-5-3-7-11-9/h3-5,7H,2,6,10H2,1H3/b8-4+.
What are the key properties of (E)-4-thiophen-2-ylpent-3-en-1-amine?
(E)-4-thiophen-2-ylpent-3-en-1-amine has a molecular weight of 167.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-thiophen-2-ylpent-3-en-1-amine is sourced from PubChem (CID 82074766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).