1-[1-(4-ethenylphenyl)ethyl]azepane

C16H23N — CID 66742661

IUPAC1-[1-(4-ethenylphenyl)ethyl]azepane
SMILESC=Cc1ccc(C(C)N2CCCCCC2)cc1
InChIInChI=1S/C16H23N/c1-3-15-8-10-16(11-9-15)14(2)17-12-6-4-5-7-13-17/h3,8-11,14H,1,4-7,12-13H2,2H3
InChIKeyMPHKXJYZNVMYPU-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.27
Rot. Bonds3

About 1-[1-(4-ethenylphenyl)ethyl]azepane

1-[1-(4-ethenylphenyl)ethyl]azepane (PubChem CID 66742661) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[1-(4-ethenylphenyl)ethyl]azepane.

Molecular Properties

Compound Name1-[1-(4-ethenylphenyl)ethyl]azepane
PubChem CID66742661
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-[1-(4-ethenylphenyl)ethyl]azepane
SMILESC=Cc1ccc(C(C)N2CCCCCC2)cc1
InChIInChI=1S/C16H23N/c1-3-15-8-10-16(11-9-15)14(2)17-12-6-4-5-7-13-17/h3,8-11,14H,1,4-7,12-13H2,2H3
InChIKeyMPHKXJYZNVMYPU-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[(1S)-1-piperidin-1-ylethyl]pyridine
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1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
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1-[1-(4-iodophenyl)ethyl]azetidine
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3-[1-(azepan-1-yl)ethyl]aniline
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4-(1-piperazin-1-ylethyl)benzaldehyde
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1-(4-ethenylphenyl)-4-propan-2-ylpiperazine
CID 141311274
1-[1-(4-ethenylphenyl)ethoxy]-2,2,6,6-tetramethylpiperidine
CID 102123971
1-[1-[4-(4-thiophen-3-ylphenyl)phenyl]ethyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethenylphenyl)ethyl]azepane?
The IUPAC name of 1-[1-(4-ethenylphenyl)ethyl]azepane (CID 66742661) is 1-[1-(4-ethenylphenyl)ethyl]azepane.
What is the SMILES notation for 1-[1-(4-ethenylphenyl)ethyl]azepane?
The canonical SMILES for 1-[1-(4-ethenylphenyl)ethyl]azepane is C=Cc1ccc(C(C)N2CCCCCC2)cc1.
What is the InChIKey of 1-[1-(4-ethenylphenyl)ethyl]azepane?
The InChIKey is MPHKXJYZNVMYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-15-8-10-16(11-9-15)14(2)17-12-6-4-5-7-13-17/h3,8-11,14H,1,4-7,12-13H2,2H3.
What are the key properties of 1-[1-(4-ethenylphenyl)ethyl]azepane?
1-[1-(4-ethenylphenyl)ethyl]azepane has a molecular weight of 229.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethenylphenyl)ethyl]azepane is sourced from PubChem (CID 66742661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).