(E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine

C13H21NS — CID 103092136

IUPAC(E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H21NS/c1-10(14-5)6-7-11-8-9-12(15-11)13(2,3)4/h6-10,14H,1-5H3/b7-6+
InChIKeyDTVCAIWJMDQLEV-VOTSOKGWSA-N
MW223.39 g/mol
LogP3.67
Rot. Bonds3

About (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine

(E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine (PubChem CID 103092136) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine
PubChem CID103092136
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name(E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H21NS/c1-10(14-5)6-7-11-8-9-12(15-11)13(2,3)4/h6-10,14H,1-5H3/b7-6+
InChIKeyDTVCAIWJMDQLEV-VOTSOKGWSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine (CID 103092136) is (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine is CNC(C)/C=C/c1ccc(C(C)(C)C)s1.
What is the InChIKey of (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine?
The InChIKey is DTVCAIWJMDQLEV-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(14-5)6-7-11-8-9-12(15-11)13(2,3)4/h6-10,14H,1-5H3/b7-6+.
What are the key properties of (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine?
(E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine has a molecular weight of 223.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-tert-butylthiophen-2-yl)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 103092136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).