6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine

C13H23N — CID 89220126

IUPAC6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine
SMILESCC/C=C(\CCC)C1=CC(C)CCN1
InChIInChI=1S/C13H23N/c1-4-6-12(7-5-2)13-10-11(3)8-9-14-13/h6,10-11,14H,4-5,7-9H2,1-3H3/b12-6+
InChIKeySWTQCZVRBABXOL-WUXMJOGZSA-N
MW193.33 g/mol
LogP3.64
Rot. Bonds4

About 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine

6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 89220126) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine
PubChem CID89220126
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine
SMILESCC/C=C(\CCC)C1=CC(C)CCN1
InChIInChI=1S/C13H23N/c1-4-6-12(7-5-2)13-10-11(3)8-9-14-13/h6,10-11,14H,4-5,7-9H2,1-3H3/b12-6+
InChIKeySWTQCZVRBABXOL-WUXMJOGZSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine (CID 89220126) is 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine is CC/C=C(\CCC)C1=CC(C)CCN1.
What is the InChIKey of 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is SWTQCZVRBABXOL-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-12(7-5-2)13-10-11(3)8-9-14-13/h6,10-11,14H,4-5,7-9H2,1-3H3/b12-6+.
What are the key properties of 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine?
6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-hept-3-en-4-yl]-4-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 89220126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).