3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline

C14H21N — CID 143644212

IUPAC3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline
SMILESCC/C=C(\CC)c1cccc(N(C)C)c1
InChIInChI=1S/C14H21N/c1-5-8-12(6-2)13-9-7-10-14(11-13)15(3)4/h7-11H,5-6H2,1-4H3/b12-8+
InChIKeyXTRIOPNUEUFOLY-XYOKQWHBSA-N
MW203.33 g/mol
LogP3.96
Rot. Bonds4

About 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline

3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline (PubChem CID 143644212) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline
PubChem CID143644212
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline
SMILESCC/C=C(\CC)c1cccc(N(C)C)c1
InChIInChI=1S/C14H21N/c1-5-8-12(6-2)13-9-7-10-14(11-13)15(3)4/h7-11H,5-6H2,1-4H3/b12-8+
InChIKeyXTRIOPNUEUFOLY-XYOKQWHBSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline (CID 143644212) is 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline is CC/C=C(\CC)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline?
The InChIKey is XTRIOPNUEUFOLY-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H21N/c1-5-8-12(6-2)13-9-7-10-14(11-13)15(3)4/h7-11H,5-6H2,1-4H3/b12-8+.
What are the key properties of 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline?
3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline has a molecular weight of 203.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 143644212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).