(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine

C12H19NS — CID 103092879

IUPAC(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1sccc1C
InChIInChI=1S/C12H19NS/c1-4-8-13-11(3)5-6-12-10(2)7-9-14-12/h5-7,9,11,13H,4,8H2,1-3H3/b6-5+
InChIKeyVIZUDATYGFNIEI-AATRIKPKSA-N
MW209.36 g/mol
LogP3.46
Rot. Bonds5

About (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine

(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine (PubChem CID 103092879) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine
PubChem CID103092879
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1sccc1C
InChIInChI=1S/C12H19NS/c1-4-8-13-11(3)5-6-12-10(2)7-9-14-12/h5-7,9,11,13H,4,8H2,1-3H3/b6-5+
InChIKeyVIZUDATYGFNIEI-AATRIKPKSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine (CID 103092879) is (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine is CCCNC(C)/C=C/c1sccc1C.
What is the InChIKey of (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine?
The InChIKey is VIZUDATYGFNIEI-AATRIKPKSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-8-13-11(3)5-6-12-10(2)7-9-14-12/h5-7,9,11,13H,4,8H2,1-3H3/b6-5+.
What are the key properties of (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine?
(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103092879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).