(E)-N,N-diethyl-3-phenylbut-2-en-1-amine

C14H21N — CID 134958644

IUPAC(E)-N,N-diethyl-3-phenylbut-2-en-1-amine
SMILESCCN(CC)C/C=C(\C)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-15(5-2)12-11-13(3)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3/b13-11+
InChIKeyTWJSIXGIOGMKNW-ACCUITESSA-N
MW203.33 g/mol
LogP3.43
Rot. Bonds5

About (E)-N,N-diethyl-3-phenylbut-2-en-1-amine

(E)-N,N-diethyl-3-phenylbut-2-en-1-amine (PubChem CID 134958644) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-phenylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-phenylbut-2-en-1-amine
PubChem CID134958644
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(E)-N,N-diethyl-3-phenylbut-2-en-1-amine
SMILESCCN(CC)C/C=C(\C)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-15(5-2)12-11-13(3)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3/b13-11+
InChIKeyTWJSIXGIOGMKNW-ACCUITESSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-phenylbut-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-3-phenylbut-2-en-1-amine (CID 134958644) is (E)-N,N-diethyl-3-phenylbut-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-3-phenylbut-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-3-phenylbut-2-en-1-amine is CCN(CC)C/C=C(\C)c1ccccc1.
What is the InChIKey of (E)-N,N-diethyl-3-phenylbut-2-en-1-amine?
The InChIKey is TWJSIXGIOGMKNW-ACCUITESSA-N. The full InChI is InChI=1S/C14H21N/c1-4-15(5-2)12-11-13(3)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3/b13-11+.
What are the key properties of (E)-N,N-diethyl-3-phenylbut-2-en-1-amine?
(E)-N,N-diethyl-3-phenylbut-2-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-phenylbut-2-en-1-amine is sourced from PubChem (CID 134958644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).