1-[(E)-2-phenylethenyl]azepane

C14H19N — CID 146169339

IUPAC1-[(E)-2-phenylethenyl]azepane
SMILESC(=C/N1CCCCCC1)\c1ccccc1
InChIInChI=1S/C14H19N/c1-2-7-12-15(11-6-1)13-10-14-8-4-3-5-9-14/h3-5,8-10,13H,1-2,6-7,11-12H2/b13-10+
InChIKeyMRROAVPNDQTFDF-JLHYYAGUSA-N
MW201.31 g/mol
LogP3.53
Rot. Bonds2

About 1-[(E)-2-phenylethenyl]azepane

1-[(E)-2-phenylethenyl]azepane (PubChem CID 146169339) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]azepane.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]azepane
PubChem CID146169339
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-[(E)-2-phenylethenyl]azepane
SMILESC(=C/N1CCCCCC1)\c1ccccc1
InChIInChI=1S/C14H19N/c1-2-7-12-15(11-6-1)13-10-14-8-4-3-5-9-14/h3-5,8-10,13H,1-2,6-7,11-12H2/b13-10+
InChIKeyMRROAVPNDQTFDF-JLHYYAGUSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

iodomethane;1-[(E)-2-phenylethenyl]piperidine
CID 20839071
1-[(E)-2-(4-bromophenyl)ethenyl]piperidine
CID 146169747
4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide
CID 58283179
4-[(E)-2-phenylethenyl]thiomorpholine
CID 146169340
diethyl benzene-1,2-dicarboxylate;1-(2-phenylethenyl)piperidine
CID 86754086
4-methyl-1-(2-phenylethenyl)piperidine
CID 174298455
(3S)-3-chloro-1-(2-phenylethenyl)piperidine
CID 174317120
N-methyl-1-(2-phenylethenyl)piperidin-4-amine
CID 174773972
(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine
CID 134863569
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
4-phenyl-1-piperidin-1-ylbut-3-ene-1,2-dione
CID 57235481
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]azepane?
The IUPAC name of 1-[(E)-2-phenylethenyl]azepane (CID 146169339) is 1-[(E)-2-phenylethenyl]azepane.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]azepane?
The canonical SMILES for 1-[(E)-2-phenylethenyl]azepane is C(=C/N1CCCCCC1)\c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]azepane?
The InChIKey is MRROAVPNDQTFDF-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H19N/c1-2-7-12-15(11-6-1)13-10-14-8-4-3-5-9-14/h3-5,8-10,13H,1-2,6-7,11-12H2/b13-10+.
What are the key properties of 1-[(E)-2-phenylethenyl]azepane?
1-[(E)-2-phenylethenyl]azepane has a molecular weight of 201.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]azepane is sourced from PubChem (CID 146169339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).