5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane

C17H25N — CID 66742980

IUPAC5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane
SMILESC=Cc1ccc(CCC2CCNC(C)CC2)cc1
InChIInChI=1S/C17H25N/c1-3-15-6-8-16(9-7-15)10-11-17-5-4-14(2)18-13-12-17/h3,6-9,14,17-18H,1,4-5,10-13H2,2H3
InChIKeyKFKQINPOFJMTRF-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.04
Rot. Bonds4

About 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane

5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane (PubChem CID 66742980) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane.

Molecular Properties

Compound Name5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane
PubChem CID66742980
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane
SMILESC=Cc1ccc(CCC2CCNC(C)CC2)cc1
InChIInChI=1S/C17H25N/c1-3-15-6-8-16(9-7-15)10-11-17-5-4-14(2)18-13-12-17/h3,6-9,14,17-18H,1,4-5,10-13H2,2H3
InChIKeyKFKQINPOFJMTRF-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20632303
CID 20632303
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CID 130375964
2-methyl-5-[2-(6-methylpiperidin-3-yl)ethyl]pyridine
CID 68812776
6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
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1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene
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1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]prop-2-en-1-one
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4-[2-(azepan-4-yl)ethyl]phenol
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1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane?
The IUPAC name of 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane (CID 66742980) is 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane.
What is the SMILES notation for 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane?
The canonical SMILES for 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane is C=Cc1ccc(CCC2CCNC(C)CC2)cc1.
What is the InChIKey of 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane?
The InChIKey is KFKQINPOFJMTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-15-6-8-16(9-7-15)10-11-17-5-4-14(2)18-13-12-17/h3,6-9,14,17-18H,1,4-5,10-13H2,2H3.
What are the key properties of 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane?
5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane has a molecular weight of 243.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane is sourced from PubChem (CID 66742980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).