(2R)-2-thiophen-3-ylpent-4-en-2-amine

C9H13NS — CID 130722882

IUPAC(2R)-2-thiophen-3-ylpent-4-en-2-amine
SMILESC=CC[C@@](C)(N)c1ccsc1
InChIInChI=1S/C9H13NS/c1-3-5-9(2,10)8-4-6-11-7-8/h3-4,6-7H,1,5,10H2,2H3/t9-/m1/s1
InChIKeyTXXAEFRGFICDJC-SECBINFHSA-N
MW167.28 g/mol
LogP2.50
Rot. Bonds3

About (2R)-2-thiophen-3-ylpent-4-en-2-amine

(2R)-2-thiophen-3-ylpent-4-en-2-amine (PubChem CID 130722882) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (2R)-2-thiophen-3-ylpent-4-en-2-amine.

Molecular Properties

Compound Name(2R)-2-thiophen-3-ylpent-4-en-2-amine
PubChem CID130722882
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(2R)-2-thiophen-3-ylpent-4-en-2-amine
SMILESC=CC[C@@](C)(N)c1ccsc1
InChIInChI=1S/C9H13NS/c1-3-5-9(2,10)8-4-6-11-7-8/h3-4,6-7H,1,5,10H2,2H3/t9-/m1/s1
InChIKeyTXXAEFRGFICDJC-SECBINFHSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-thiophen-3-ylpent-4-en-2-amine?
The IUPAC name of (2R)-2-thiophen-3-ylpent-4-en-2-amine (CID 130722882) is (2R)-2-thiophen-3-ylpent-4-en-2-amine.
What is the SMILES notation for (2R)-2-thiophen-3-ylpent-4-en-2-amine?
The canonical SMILES for (2R)-2-thiophen-3-ylpent-4-en-2-amine is C=CC[C@@](C)(N)c1ccsc1.
What is the InChIKey of (2R)-2-thiophen-3-ylpent-4-en-2-amine?
The InChIKey is TXXAEFRGFICDJC-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-5-9(2,10)8-4-6-11-7-8/h3-4,6-7H,1,5,10H2,2H3/t9-/m1/s1.
What are the key properties of (2R)-2-thiophen-3-ylpent-4-en-2-amine?
(2R)-2-thiophen-3-ylpent-4-en-2-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 (2R)-2-thiophen-3-ylpent-4-en-2-amine is sourced from PubChem (CID 130722882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).