5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine

C11H15NS — CID 18338376

IUPAC5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine
SMILESC=CCN(CC=C)c1ccc(C)s1
InChIInChI=1S/C11H15NS/c1-4-8-12(9-5-2)11-7-6-10(3)13-11/h4-7H,1-2,8-9H2,3H3
InChIKeyJABUKJAZMQMXIA-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.23
Rot. Bonds5

About 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine

5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine (PubChem CID 18338376) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine
PubChem CID18338376
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine
SMILESC=CCN(CC=C)c1ccc(C)s1
InChIInChI=1S/C11H15NS/c1-4-8-12(9-5-2)11-7-6-10(3)13-11/h4-7H,1-2,8-9H2,3H3
InChIKeyJABUKJAZMQMXIA-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
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 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine?
The IUPAC name of 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine (CID 18338376) is 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine.
What is the SMILES notation for 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine?
The canonical SMILES for 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine is C=CCN(CC=C)c1ccc(C)s1.
What is the InChIKey of 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine?
The InChIKey is JABUKJAZMQMXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-4-8-12(9-5-2)11-7-6-10(3)13-11/h4-7H,1-2,8-9H2,3H3.
What are the key properties of 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine?
5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine has a molecular weight of 193.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine is sourced from PubChem (CID 18338376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).